68262967 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 8 8 8 9 9 10 10 11 12 12 12 13 13 13 14 14 14 15 15 16 16 16 17 17 17 18 19 19 20 20 20 21 21 22 22 23 25 25 25 18 11 24 7 8 11 9 10 15 24 25 50 9 26 27 10 28 29 30 31 32 33 12 13 34 35 14 36 37 16 38 39 18 19 17 40 41 20 42 43 21 22 44 24 45 46 23 47 23 48 49 51 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 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 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 8.0622 7.1962 2 6.3301 6.3301 2.866 7.1962 5.4641 7.1962 5.4641 6.3301 5.4641 5.4641 4.5981 6.3301 4.5981 3.732 7.1962 5.4641 3.732 7.1962 5.4641 6.3301 2.866 2 7.8067 7.4082 5.252 4.8535 7.4082 7.8067 4.8535 5.252 4.8535 5.252 6.0747 5.6762 3.9875 4.386 5.2087 4.8101 3.1215 3.52 4.9272 4.3426 3.9441 7.7331 4.9272 6.3301 3.403 2.31 1.4631 1.69 -4.25 0.25 4.25 -1.25 -3.25 5.75 -1.75 -1.75 -2.75 -2.75 -0.25 0.25 1.25 1.75 -4.25 2.75 3.25 -4.75 -4.75 4.25 -5.75 -5.75 -6.25 4.75 6.25 -1.8577 -1.1674 -1.1674 -1.8577 -3.3326 -2.6423 -2.6423 -3.3326 0.3577 -0.3326 1.1423 1.8326 1.8577 1.1674 2.6423 3.3326 3.3577 2.6674 -4.44 4.1423 4.8326 -6.06 -6.06 -6.87 6.06 6.7869 6.56 5.7131 8 8 8 8 8 8 15 15 18 19 21 22 18 19 21 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 425 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000400000000000000000000000000000000003C4000000000000000010000001E0210000000080AC1902432C083C00000880025525000820000210700088881086688086032C19391D42008609600C8C8071888808000000000000000100000000000000020000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 8-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-8-oxo-octanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 8-[4-(2-chlorophenyl)-1-piperazinyl]-N-methyl-8-oxooctanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 8-[4-(2-chlorophenyl)piperazin-1-yl]-<I>N</I>-methyl-8-oxooctanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 8-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-8-oxooctanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 8-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-8-oxidanylidene-octanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 8-[4-(2-chlorophenyl)piperazino]-8-keto-N-methyl-caprylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H28ClN3O2/c1-21-18(24)10-4-2-3-5-11-19(25)23-14-12-22(13-15-23)17-9-7-6-8-16(17)20/h6-9H,2-5,10-15H2,1H3,(H,21,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SLLRERLKFSQFJJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.1870048 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H28ClN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.9 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CNC(=O)CCCCCCC(=O)N1CCN(CC1)C2=CC=CC=C2Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNC(=O)CCCCCCC(=O)N1CCN(CC1)C2=CC=CC=C2Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 52.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.1870048 25 0 0 0 0 0 0 0 1 -1