56593036 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 8 8 7 7 7 7 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 2 2 3 3 3 4 4 4 5 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 13 13 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 23 24 24 25 25 26 12 18 21 10 11 12 5 6 12 13 14 8 9 27 28 10 29 30 11 31 32 33 34 35 36 14 15 37 16 17 19 38 20 39 19 20 40 41 22 23 24 42 25 43 26 44 26 45 46 2 1 1 1 1 1 1 1 1 2 2 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 2 1 1 1 2 1 2 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 2.5158 4.5981 3.917 4.0981 3.7891 5.0981 4.7305 5.3183 3.736 4.9116 3.3292 3.5103 4.5981 5.4071 4.5981 5.4641 3.732 4.5981 5.4641 3.732 3.732 2.866 3.732 2 2.866 2 5.2878 4.5596 5.8323 5.749 3.7792 3.1344 4.8683 5.5131 2.8152 2.8986 5.9967 6.001 3.1951 6.001 3.1951 2.866 4.269 1.4631 2.866 1.4631 2.6991 -3.5442 3.7172 1.9946 1.0435 1.9946 5.5442 4.7352 5.4397 3.8217 4.5262 2.8036 0.4558 1.0435 -0.5442 -1.0442 -1.0442 -2.5442 -2.0442 -2.0442 -4.0442 -3.5442 -5.0442 -4.0442 -5.5442 -5.0442 5.816 6.1402 4.3885 5.1812 6.0582 5.5897 3.2032 3.6717 4.8729 4.0802 0.8519 -0.7342 -0.7342 -2.3542 -2.3542 -2.9242 -5.3543 -3.7342 -6.1642 -5.3543 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 13 15 15 16 17 18 18 21 21 22 23 24 25 5 6 13 14 14 16 17 19 20 19 20 22 23 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 455 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000001600000003C608000000000000001D000001E00080000000C0CC19E043D8693000400AA0334675000920C0420B2001E98203E7C988C66A284B11B863820E4CE1388E80790D0810E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(4-phenoxyphenyl)triazol-2-yl]-(1-piperidyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(4-phenoxyphenyl)-2-triazolyl]-(1-piperidinyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(4-phenoxyphenyl)triazol-2-yl]-piperidin-1-ylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(4-phenoxyphenyl)triazol-2-yl]-piperidin-1-ylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(4-phenoxyphenyl)-1,2,3-triazol-2-yl]-piperidin-1-yl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(4-phenoxyphenyl)triazol-2-yl]-piperidino-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H20N4O2/c25-20(23-13-5-2-6-14-23)24-21-15-19(22-24)16-9-11-18(12-10-16)26-17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SXQKTXMIKJBQRP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.15862589 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H20N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)C(=O)N2N=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)C(=O)N2N=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 60.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.15862589 26 0 0 0 0 0 0 0 1 -1