46883509 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 17 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 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 2 3 3 3 4 4 4 5 5 5 5 6 6 6 7 7 8 8 8 9 9 10 10 11 11 11 13 13 14 14 15 15 16 16 17 18 18 18 19 19 20 20 21 21 22 22 22 23 24 25 25 26 26 27 27 28 29 29 30 28 12 7 9 12 12 18 44 6 7 10 11 8 31 32 33 34 9 35 36 37 38 13 14 39 40 41 15 42 16 43 17 45 17 46 47 19 48 49 20 21 23 50 24 51 23 24 25 52 53 26 27 28 54 29 55 30 30 56 57 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 5 6 7 10 11 3 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 10.0622 4 4.866 5.732 4 4.866 4 5.732 5.732 3.5 3 4.866 4 2.5 3.5 2 2.5 5.732 6.5981 6.5981 7.4641 8.3301 7.4641 8.3301 9.1962 9.1962 10.0622 10.0622 10.9282 10.9282 5.2646 4.4675 3.3894 3.788 6.3426 5.9441 5.9441 6.3426 3 2.38 3 4.62 2.19 6.269 3.81 1.38 2.19 5.1215 5.52 6.0611 7.4641 7.4641 8.8671 8.6592 10.0622 11.4651 11.4651 -5.549 -0.049 1.451 -0.049 2.951 3.451 1.951 2.951 1.951 3.817 2.951 0.451 4.683 3.817 5.549 4.683 5.549 -1.049 -1.549 -2.549 -1.049 -2.549 -3.049 -1.549 -3.049 -4.049 -2.549 -4.549 -3.049 -4.049 3.9259 3.9259 2.0586 1.3684 2.8433 3.5336 1.3684 2.0586 3.571 2.951 2.331 4.683 3.28 0.261 6.086 4.683 6.086 -0.9414 -1.6316 -2.859 -0.429 -3.669 -1.239 -4.359 -1.929 -2.739 -4.359 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 10 10 13 14 15 16 19 19 20 21 22 22 25 25 26 27 28 29 11 13 14 15 16 17 17 20 21 23 24 23 24 26 27 28 29 30 30 0 Compound Canonicalized 5 2010.09.10 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 555 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000400000000000000000000000000000000003C60C1000000000000015000001E02100000000E02C11824330083C000008802204210008200002005000888800806888820228193118420086886028888071080C00FC0000020000000008000004000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenyl-piperidine-1-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenyl-1-piperidinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methyl-3-phenyl-piperidine-1-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(3-chlorophenyl)benzyl]-3-methyl-3-phenyl-piperidine-1-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H27ClN2O/c1-26(23-8-3-2-4-9-23)15-6-16-29(19-26)25(30)28-18-20-11-13-21(14-12-20)22-7-5-10-24(27)17-22/h2-5,7-14,17H,6,15-16,18-19H2,1H3,(H,28,30) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SFAHBRRRIPXYTB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 418.1811912 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C26H27ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 419.0 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1(CCCN(C1)C(=O)NCC2=CC=C(C=C2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1(CCCN(C1)C(=O)NCC2=CC=C(C=C2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 32.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 418.1811912 30 1 0 1 0 0 0 0 1 -1