621174 -OEChem-10051722043D 56 58 0 0 0 0 0 0 0999 V2000 -3.4815 -2.7731 -0.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 -0.0824 -0.4851 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5947 -0.5753 -0.0738 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 -0.9152 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -0.3140 -1.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 -0.4507 0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8577 -0.5825 -1.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1121 -0.7161 0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 -0.3017 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 0.3314 0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 0.8354 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6344 -1.5518 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0459 -0.9837 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2982 0.1319 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9911 1.3788 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 1.5114 -1.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1183 -2.0730 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8998 -0.9943 0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0379 1.0776 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 2.7254 1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5844 2.8581 -0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5087 -1.4791 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 3.4651 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2735 -1.1792 0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4117 0.8926 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0293 -0.2358 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -2.0074 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 0.7734 -1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 -0.7235 -2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7194 -0.9586 1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 0.6252 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 -1.6585 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 -0.0787 -2.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6019 -0.3086 1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2976 -1.7981 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3597 0.1552 -1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 -1.3737 -0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5541 -0.0917 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5918 1.4049 0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2541 -0.3390 -0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 -0.3932 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7736 0.8037 2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2132 1.0400 -2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 -2.7536 0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0849 -2.6756 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 -1.7366 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5657 1.9585 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3792 3.1972 2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8185 3.4333 -1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5850 -0.9008 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2592 -2.2751 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7514 -0.8188 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9051 4.5133 0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7544 -2.0581 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0005 1.6268 -1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 -0.3799 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 27 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 14 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 16 21 2 0 0 0 0 16 43 1 0 0 0 0 17 22 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 24 1 0 0 0 0 18 46 1 0 0 0 0 19 25 2 0 0 0 0 19 47 1 0 0 0 0 20 23 2 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 M END > DB09173 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QQOMYEQLWQJRKK-UHFFFAOYSA-N/SDF?record_type=3d > CCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1 > InChI=1S/C23H30N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3 > QQOMYEQLWQJRKK-UHFFFAOYSA-N > C23H30N2O > 350.506 > 350.235813594 > 2 > 56 > 42.032659814113224 > 1 > 0 > 0 > 1 > N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide > 4.44 > 4.2600672133333335 > -4.41 > 1 > 3 > 1 > 8.767606300482685 > 23.550000000000004 > 108.08350000000004 > 7 > 1 > 1.37e-02 g/l > N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide > 1 $$$$