148184 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 8 7 7 7 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 2 2 2 3 3 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 10 11 11 12 12 13 13 14 15 16 17 17 18 10 8 9 10 14 17 15 18 6 7 19 20 8 21 22 9 23 24 25 26 27 28 11 12 13 14 29 16 30 15 16 31 18 32 33 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 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 4.5981 3.732 8.0901 8.0901 2 2.866 2 3.732 2.866 4.5981 5.4641 6.3301 5.4641 7.1962 7.1962 6.3301 8.9962 8.9962 1.788 1.3894 3.2646 2.4675 1.3894 1.788 4.3426 3.9441 2.4675 3.2646 6.3301 4.9272 6.3301 9.5319 9.5319 -1.5173 -0.0173 -0.552 1.5173 0.9827 1.4827 -0.0173 0.9827 -0.5173 -0.5173 -0.0173 -0.5173 0.9827 -0.0173 0.9827 1.4827 -0.0381 1.0035 1.5653 0.875 1.9576 1.9576 0.0903 -0.5999 0.875 1.5653 -0.9923 -0.9923 -1.1373 1.2927 2.1027 -0.3502 1.3156 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 11 11 12 13 14 15 17 14 17 15 18 12 13 14 16 15 16 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 301 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07320000000000000000000000000000000000000003C5880000000000000B1F000001E00000000000C08C19E043CC0B3081000A8033577540082802435122008D8213874D80860F2C09591942108608600C8C9871C89009E08000040000000201000008000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-piperidyl(quinoxalin-6-yl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-piperidinyl(6-quinoxalinyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 piperidin-1-yl(quinoxalin-6-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 piperidin-1-yl(quinoxalin-6-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 piperidin-1-yl(quinoxalin-6-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 piperidino(quinoxalin-6-yl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ANDGGVOPIJEHOF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.121512110 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H15N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.121512110 18 0 0 0 0 0 0 0 1 -1