BC9KBY85WY
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- BC9KBY85WY
- DrugBank Accession Number
- DB17820
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 305.422
Monoisotopic: 305.210327121 - Chemical Formula
- C17H27N3O2
- Synonyms
- 1-piperazinecarboxamide, 4-((2e)-1-oxo-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propen-1-yl)-
- 4-((2E)-1-Oxo-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propen-1-yl)-1-piperazinecarboxamide
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- BC9KBY85WY
- CAS number
- 1259013-14-3
- InChI Key
- ISXCNDQRTAJCDE-VOTSOKGWSA-N
- InChI
- InChI=1S/C17H27N3O2/c1-13-5-4-8-17(2,3)14(13)6-7-15(21)19-9-11-20(12-10-19)16(18)22/h6-7H,4-5,8-12H2,1-3H3,(H2,18,22)/b7-6+
- IUPAC Name
- 4-[(2E)-3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-2-enoyl]piperazine-1-carboxamide
- SMILES
- CC1=C(\C=C\C(=O)N2CCN(CC2)C(N)=O)C(C)(C)CCC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 58828316
Clinical Trials
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
Property Value Source logP 1.33 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 66.64 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 88.88 m3·mol-1 Chemaxon Polarizability 34.81 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 18, 2023 15:33 / Updated at July 18, 2023 22:59