Piperidione

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Piperidione
DrugBank Accession Number
DB13224
Background

Piperidione was cough medicine marketed by Roche under the trade name Sedulon.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 169.224
Monoisotopic: 169.110278727
Chemical Formula
C9H15NO2
Synonyms
Not Available
External IDs
  • NSC-75628

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

ATC Codes
R05DB23 — Piperidione
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as piperidinediones. These are compounds containing a piperidine ring which bears two ketones.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Piperidinones
Direct Parent
Piperidinediones
Alternative Parents
Delta lactams / Secondary carboxylic acid amides / Cyclic ketones / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aliphatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Cyclic ketone / Delta-lactam / Hydrocarbon derivative / Ketone / Lactam
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
piperidones (CHEBI:81302)
Affected organisms
Not Available

Chemical Identifiers

UNII
BZ6KL0Q8UD
CAS number
77-03-2
InChI Key
RGEVWUKXWFOAID-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12)
IUPAC Name
3,3-diethylpiperidine-2,4-dione
SMILES
CCC1(CC)C(=O)CCNC1=O

References

General References
Not Available
KEGG Compound
C17730
ChemSpider
6222
ChEBI
81302
ChEMBL
CHEMBL3707370
ZINC
ZINC000003875487
Wikipedia
Piperidione

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility29.0 mg/mLALOGPS
logP0.38ALOGPS
logP1.34Chemaxon
logS-0.77ALOGPS
pKa (Strongest Acidic)14.47Chemaxon
pKa (Strongest Basic)-3.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area46.17 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity45.68 m3·mol-1Chemaxon
Polarizability18.06 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00b9-9400000000-e079d9e098904ecba937
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-0900000000-5651d1970aeab2d5b5e7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-8fb5a93ffdfe82ce345a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-5900000000-afc2330d434086024618
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-2900000000-34c5a67df5fad69ceb09
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fk9-7900000000-f397586e9e541cca4bea
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9800000000-de8e74636fc2bb95fc44
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-138.2155198
predicted
DarkChem Lite v0.1.0
[M-H]-130.7777
predicted
DeepCCS 1.0 (2019)
[M+H]+138.8596198
predicted
DarkChem Lite v0.1.0
[M+H]+134.6082
predicted
DeepCCS 1.0 (2019)
[M+Na]+138.3085198
predicted
DarkChem Lite v0.1.0
[M+Na]+143.39778
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at June 12, 2020 16:53