60158934 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 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 2 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 8 9 9 10 10 12 12 13 13 14 14 14 15 15 15 16 16 17 17 18 18 19 19 20 20 21 11 18 46 11 12 14 5 6 7 11 9 22 23 10 24 25 12 26 27 9 10 13 28 29 30 31 32 33 34 16 17 15 35 36 18 37 38 19 39 20 40 41 42 21 43 21 44 45 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 2 1 1 1 1 1 1 1 1 1 2 1 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 7.2788 11.984 8.5388 7 6.5 6.5 7.5878 5 5.5 5.5 7.5878 8.5388 4 9.3479 10.2614 3.5 3.5 11.0704 2.5 2.5 2 7.0826 6.3923 6.3923 7.0826 7.84 7.0508 4.69 5.6077 4.9174 4.9174 5.6077 9.1554 8.6678 8.9019 9.6946 10.7074 9.9147 3.81 3.81 10.6244 11.4171 2.19 2.19 1.38 12.4856 -1.313 -0.4151 -0.053 0.447 1.313 -0.419 1.256 0.447 1.313 -0.419 -0.362 0.947 0.447 -0.6408 -0.234 -0.419 1.313 -0.8218 -0.419 1.313 0.447 1.5251 1.9236 -1.0296 -0.6311 1.8224 1.566 -0.0899 1.9236 1.5251 -0.6311 -1.0296 0.8822 1.5535 -1.0714 -1.1548 0.1967 0.28 -0.9559 1.85 -1.2525 -1.3358 -0.9559 1.85 0.447 -0.7795 8 8 8 8 8 8 13 13 16 17 19 20 16 17 19 20 21 21 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 354 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A3000000000000000000000000000000160000000306000000000000000010000001E00000800000F00E198063000830002008802215210000200002000000888010800880830328091108460002286008888071C88C08F80000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-hydroxypropyl)-8-phenyl-2-azaspiro[4.5]decan-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-hydroxypropyl)-8-phenyl-2-azaspiro[4.5]decan-1-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-hydroxypropyl)-8-phenyl-2-azaspiro[4.5]decan-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-hydroxypropyl)-8-phenyl-2-azaspiro[4.5]decan-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-oxidanylpropyl)-8-phenyl-2-azaspiro[4.5]decan-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(3-hydroxypropyl)-8-phenyl-2-azaspiro[4.5]decan-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H25NO2/c20-14-4-12-19-13-11-18(17(19)21)9-7-16(8-10-18)15-5-2-1-3-6-15/h1-3,5-6,16,20H,4,7-14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PJPLRIFKYNQHFQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.188529040 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H25NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2(CCC1C3=CC=CC=C3)CCN(C2=O)CCCO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2(CCC1C3=CC=CC=C3)CCN(C2=O)CCCO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.188529040 21 0 0 0 0 0 0 0 1 -1