10176607 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 7 7 7 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 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 14 14 15 4 10 22 7 8 11 13 15 5 6 7 8 16 17 9 18 19 20 21 23 24 10 25 26 27 28 12 13 14 29 30 15 31 32 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 2 2 1 1 1 1 1 4 1 5 6 7 3 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 5.4791 4.1701 2 4.6701 5.4791 3.8611 3.8611 5.1701 4.1701 5.1701 3.5823 3.989 2.5878 3.4013 2.4067 5.7891 6.0455 3.5511 3.2947 3.2947 3.5511 6.0688 5.7765 5.1053 3.5636 4.2349 5.1053 5.7765 4.6056 2.3356 3.6534 2.0423 -1.8536 0.2731 1.7866 -1.2658 -0.678 -1.8536 -0.678 0.2731 -2.8046 -2.8046 1.0821 1.9956 0.9775 2.8046 2.7001 -1.2149 -0.4258 -1.3166 -2.1058 -0.4258 -1.2149 -1.662 0.402 0.8897 -2.9335 -3.4212 -3.4212 -2.9335 2.0604 0.4111 3.371 3.2017 8 8 3 8 8 8 8 3 3 4 11 11 12 14 13 15 6 12 13 14 15 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 231 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0730000000000000000000000000000000162C000002C0000000000000000018000001C00100000000C88C112043CC093C81000A0003467440082802031122008D8A03874980860E2C0D191942008609000C8C8071000000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-(3-pyridyl)-1,7-diazaspiro[4.4]nonane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-(3-pyridinyl)-1,7-diazaspiro[4.4]nonane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-(3-pyridyl)-1,7-diazaspiro[4.4]nonane InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NXIPMBQVNTWEEX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.142247555 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H17N3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2(CCN(C2)C3=CN=CC=C3)NC1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2(CCN(C2)C3=CN=CC=C3)NC1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 28.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.142247555 15 1 0 1 0 0 0 0 1 -1