57396875 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 15 15 15 16 16 18 19 19 20 20 21 21 22 22 23 23 24 25 25 25 26 26 26 27 27 27 17 18 5 17 50 13 14 18 7 8 28 9 10 17 29 11 30 31 12 32 33 13 34 35 14 36 37 15 38 39 16 40 41 42 43 44 45 16 46 47 48 49 19 20 21 22 25 23 26 24 51 24 52 27 53 54 55 56 57 58 59 60 61 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 5.1906 10.1906 5.1906 8.6906 4.1906 6.6906 3.7568 3.7568 7.1906 7.1906 2.7818 2.7818 8.1906 8.1906 2 2 5.6906 9.6906 10.1906 9.6906 11.1906 10.1906 11.6906 11.1906 8.6906 11.6906 11.6906 4.5205 6.3806 3.7568 4.3612 4.3612 3.7568 7.2983 6.608 6.608 7.2983 2.2971 3.0508 3.0508 2.2971 8.7733 8.083 8.083 8.7733 1.3955 1.731 1.731 1.3955 5.5006 9.8806 12.3106 8.6906 8.0706 8.6906 12.2276 12.0006 11.1537 11.1537 12.0006 12.2276 -0.1287 1.6033 1.6033 0.7373 1.6033 0.7373 0.7024 2.5043 1.6033 -0.1287 0.4798 2.7268 1.6033 -0.1287 1.1033 2.1033 0.7373 0.7373 -0.1287 -0.9948 -0.1287 -1.8608 -0.9948 -1.8608 -0.9948 0.7373 -2.7268 1.0784 0.2004 0.0823 0.5644 2.6423 3.1243 2.2139 1.8154 -0.3408 -0.7393 0.0933 -0.0788 3.2854 3.1134 1.8154 2.2139 -0.7393 -0.3408 1.2413 0.5447 2.6619 1.9654 2.1402 -2.3977 -0.9948 -0.3748 -0.9948 -1.6148 0.4273 1.2742 1.0473 -3.0368 -3.2637 -2.4168 8 8 8 8 8 8 19 19 20 21 22 23 20 21 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 493 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07B30000000000000000000000000000000000000003C4000000600000000010000001E00100000000D28C19804320083C000008802215210008200002400000088810804C80820328095118421086096008889071C88C08EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cycloheptyl-1-(2,4,6-trimethylbenzoyl)piperidine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cycloheptyl-1-[oxo-(2,4,6-trimethylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-cycloheptyl-1-(2,4,6-trimethylbenzoyl)piperidine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cycloheptyl-1-(2,4,6-trimethylbenzoyl)piperidine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cycloheptyl-1-(2,4,6-trimethylphenyl)carbonyl-piperidine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cycloheptyl-1-(2,4,6-trimethylbenzoyl)isonipecotamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H34N2O2/c1-16-14-17(2)21(18(3)15-16)23(27)25-12-10-19(11-13-25)22(26)24-20-8-6-4-5-7-9-20/h14-15,19-20H,4-13H2,1-3H3,(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RJSMCDQIXBAYAM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.262028332 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H34N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C(=C1)C)C(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C(=C1)C)C(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 370.262028332 27 0 0 0 0 0 0 0 1 -1