60517561 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 51 52 53 54 55 8 8 7 7 7 6 6 6 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 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 14 14 14 15 16 16 16 17 17 19 19 20 20 21 22 22 23 23 24 24 25 25 26 26 28 28 28 18 27 28 9 10 14 13 15 40 18 22 48 7 8 11 29 9 30 31 10 32 33 34 35 36 37 12 13 15 17 16 18 38 39 19 41 42 43 20 44 21 45 21 46 47 23 24 25 49 26 50 27 51 27 52 53 54 55 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 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 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 51 52 53 54 55 7.5673 11.1241 5.6103 4.6783 7.2101 4.9889 4.3211 5.9674 4.6318 6.2781 4.6783 3.732 5.2619 5.9209 3.732 6.2619 2.866 6.8994 2.866 2 2 8.1886 8.4993 8.8564 9.4778 9.8349 10.1456 11.4348 5.403 3.7742 3.9385 5.988 6.5812 4.6112 4.0179 6.825 6.6607 5.9004 5.3071 4.8709 6.2619 6.8819 6.2619 2.866 2.866 1.4631 1.4631 6.796 8.0852 8.6638 9.6704 10.249 12.0241 11.6274 10.8455 0.9963 3.516 0.5838 -3.8772 2.6911 -1.3172 -0.5729 -1.111 0.3776 -0.1605 -2.2677 -2.5724 -3.0724 1.5344 -3.5724 -3.0724 -2.0724 1.7406 -4.0724 -2.5724 -3.5724 2.8973 3.8478 2.153 4.0541 2.3592 3.3098 4.4665 -1.7787 -0.2809 -1.0608 -1.7306 -1.1983 0.9973 0.465 -0.4525 0.3275 2.154 1.6217 -4.4665 -3.6924 -3.0724 -2.4524 -1.4524 -4.6924 -2.2624 -3.8824 3.1526 4.3093 1.5637 4.6434 1.8978 4.2739 5.0558 4.6591 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 11 11 12 12 15 17 19 20 22 22 23 24 25 26 13 15 12 13 15 17 19 20 21 21 23 24 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 512 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001600000003C608000000000005801F400001E00100000000D0CC19E0632C6F3C99400A80325725400828820212220089920BE6C980C66E2C4B1BB94302864D411C8E807B0C0C00E80400000000200000080000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxyphenyl)-2-[4-(2-methyl-1H-indol-3-yl)-1-piperidyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxyphenyl)-2-[4-(2-methyl-1H-indol-3-yl)-1-piperidinyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4-methoxyphenyl)-2-[4-(2-methyl-1<I>H</I>-indol-3-yl)piperidin-1-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxyphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxyphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxyphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidino]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H27N3O2/c1-16-23(20-5-3-4-6-21(20)24-16)17-11-13-26(14-12-17)15-22(27)25-18-7-9-19(28-2)10-8-18/h3-10,17,24H,11-15H2,1-2H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GQTHGPCHPJTSRD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.21032711 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H27N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 57.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.21032711 28 0 0 0 0 0 0 0 1 -1