56377198 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 17 8 8 7 7 7 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 2 3 4 4 4 5 5 5 6 6 6 7 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 14 16 17 17 17 18 18 19 19 19 20 20 20 21 22 22 23 23 24 24 25 21 15 16 8 11 13 12 16 41 15 18 43 8 9 12 26 27 28 10 29 30 11 31 32 33 34 35 36 14 15 37 38 39 40 17 19 20 42 21 22 44 45 46 47 48 49 23 24 50 25 51 25 52 53 1 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 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 7 8 9 12 26 3 1 13 4 14 15 37 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 6.3301 7.1962 2 5.4641 3.732 6.3301 4.5981 4.5981 5.4641 6.3301 6.3301 3.732 5.4641 4.5981 6.3301 2.866 2.866 7.1962 2 3.732 7.1962 8.0622 8.0622 8.9282 8.9282 4.5981 3.9875 4.386 5.8626 5.0656 6.9407 6.5422 6.5422 6.9407 3.1215 3.52 4.9272 4.2881 4.0611 4.9081 4.269 2.866 5.7932 2.31 1.4631 1.69 4.042 4.269 3.422 8.0622 8.0622 9.4651 9.4651 -4.75 -1.25 2.75 -0.25 2.75 -2.75 1.25 0.25 1.75 1.25 0.25 1.75 -1.25 -1.75 -1.75 3.25 4.25 -3.25 4.75 4.75 -4.25 -2.75 -4.75 -3.25 -4.25 1.87 0.3577 -0.3326 2.225 2.225 1.1423 1.8326 -0.3326 0.3577 1.8577 1.1674 -0.94 -1.2131 -2.06 -2.2869 3.06 4.87 -3.06 5.2869 5.06 4.2131 4.2131 5.06 5.2869 -2.13 -5.37 -2.94 -4.56 3 3 8 8 8 8 8 8 7 13 18 18 21 22 23 24 12 14 21 22 23 24 25 25 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 458 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07B30000400000000000000000000000000000000003C4000000000000000010000001E02100000000D2AC1902432C083C00000880025525000820000210700088881886688086022C1D3B1D42008609600C8C8071000000C00000000000000100000000000000020000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[[1-[2-(2-chloroanilino)-1-methyl-2-oxo-ethyl]-3-piperidyl]methyl]-2-methyl-propanamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[[1-[1-(2-chloroanilino)-1-oxopropan-2-yl]-3-piperidinyl]methyl]-2-methylpropanamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[[1-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperidin-3-yl]methyl]-2-methylpropanamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[[1-[1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-3-yl]methyl]-2-methyl-propanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[[1-[2-(2-chloroanilino)-2-keto-1-methyl-ethyl]-3-piperidyl]methyl]-2-methyl-propionamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C19H28ClN3O2/c1-13(2)18(24)21-11-15-7-6-10-23(12-15)14(3)19(25)22-17-9-5-4-8-16(17)20/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3,(H,21,24)(H,22,25) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 QJEUGIVIANFCQD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 365.187005 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C19H28ClN3O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 365.89752 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C)C(=O)NCC1CCCN(C1)C(C)C(=O)NC2=CC=CC=C2Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C)C(=O)NCC1CCCN(C1)C(C)C(=O)NC2=CC=CC=C2Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 61.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 365.187005 25 2 0 2 0 0 0 0 1 6