25070137 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 8 8 7 7 7 7 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 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 17 17 19 20 21 21 22 22 23 23 24 18 19 16 17 19 7 18 45 8 18 46 20 23 9 10 25 14 15 26 11 27 28 12 29 30 13 31 32 13 33 34 39 40 16 35 36 17 37 38 41 42 43 44 20 21 22 47 24 48 24 49 50 2 2 1 1 1 1 1 1 1 1 1 1 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 2 1 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 47 48 49 50 6.3301 5.4641 4.5981 5.4641 4.5981 3.732 6.3301 4.5981 7.1962 6.3301 8.0622 7.1962 8.0622 5.4641 3.732 5.4641 3.732 5.4641 4.5981 3.732 2.866 2 2.866 2 5.7932 5.135 6.7976 7.5947 6.1181 5.7196 8.2742 8.6728 7.5947 6.7976 6.0747 5.6762 3.52 3.1215 8.6728 8.2742 5.6762 6.0747 3.1215 3.52 4.9272 4.0611 2.866 1.4631 2.866 1.4631 1.25 -3.25 -1.75 2.75 1.25 -4.25 3.25 0.25 2.75 4.25 3.25 4.75 4.25 -0.25 -0.25 -1.25 -1.25 1.75 -2.75 -3.25 -2.75 -3.25 -4.75 -4.25 3.56 0.56 2.275 2.275 4.8326 4.1423 2.6674 3.3577 5.225 5.225 -0.3577 0.3326 0.3326 -0.3577 4.1423 4.8326 -1.8326 -1.1423 -1.1423 -1.8326 3.06 1.56 -2.13 -2.94 -5.37 -4.56 8 8 8 8 8 8 6 6 20 21 22 23 20 23 21 22 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 429 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 2 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 00000371E07BB0000000000000000000000000000000000000003C5880000000000000018000001E00100000000828C196043D8093C81000A8013577540082802037022008D8A1B864D88860F2C0D5B1942108689602C8C9871808000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)-4-piperidyl]urea IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclohexyl-3-[1-[oxo(2-pyridinyl)methyl]-4-piperidinyl]urea IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclohexyl-3-(1-pyridin-2-ylcarbonylpiperidin-4-yl)urea IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclohexyl-3-(1-picolinoyl-4-piperidyl)urea InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H26N4O2/c23-17(16-8-4-5-11-19-16)22-12-9-15(10-13-22)21-18(24)20-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2,(H2,20,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YIUXZLIIOQLHCN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.20557608 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H26N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)C3=CC=CC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)C3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.20557608 24 0 0 0 0 0 0 0 1 -1