6604789 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 8 8 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 2 3 3 3 4 4 4 5 5 5 6 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 14 15 15 16 16 17 18 19 19 20 20 21 21 21 22 22 23 13 14 10 11 12 7 13 36 17 18 21 7 8 9 24 10 25 11 26 27 12 28 29 30 31 32 33 34 35 14 15 16 18 17 19 20 37 22 38 23 39 40 41 42 23 43 44 2 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 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 7 4 10 6 25 2 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 6.6353 4.3211 8.5373 6.2781 4.6783 8.3311 7.2566 9.7555 6.9924 8.0943 9.9617 6.6001 5.9674 4.9889 4.6783 3.732 3.732 5.2619 2.866 2.866 4.9889 2 2 8.7105 7.1426 10.3582 9.5927 7.2575 6.4269 7.8012 8.6636 10.1245 10.5644 6.0262 6.3742 5.864 5.8819 2.866 2.866 4.3996 5.1815 5.5783 1.4631 1.4631 -0.6765 0.6059 2.0051 1.0183 -2.6984 2.9836 1.2245 3.416 3.6489 0.6784 2.4375 2.7291 0.0678 -0.1384 -1.089 -1.3937 -2.3937 -1.8937 -0.8937 -2.8937 -3.6489 -1.3937 -2.3937 2.4933 0.6151 3.5614 4.0142 4.2094 3.9032 0.1321 0.4328 1.8393 2.5829 2.9637 2.1517 1.4798 -1.8937 -0.2737 -3.5137 -3.8416 -4.2383 -3.4563 -1.0837 -2.7037 8 8 6 8 8 8 8 8 8 8 8 5 5 7 15 15 16 16 17 19 20 22 17 18 4 16 18 17 19 20 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 487 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 1 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 00000371E07B30000000000000000000000000000001600000003C58B100000000005801F000001E00100000000D2CC19E043EC0F3CC1000A803B577540082802035022008D8A1B864D80860FAC095B1942188609600C8C9C71C89C09E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1-methylindol-3-yl)-2-oxo-N-[(3R)-quinuclidin-3-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methyl-3-indolyl)-2-oxoacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(3<I>R</I>)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxidanylidene-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-keto-2-(1-methylindol-3-yl)-N-[(3R)-quinuclidin-3-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZNAPADWWBWFMCQ-HNNXBMFYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 311.16337692 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H21N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 311.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C=C(C2=CC=CC=C21)C(=O)C(=O)NC3CN4CCC3CC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N[C@H]3CN4CCC3CC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 54.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 311.16337692 23 1 1 0 0 0 0 0 1 2