60517165 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 56 57 58 59 8 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 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 1 1 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 15 15 15 16 17 17 17 18 18 20 20 21 21 22 23 23 24 24 25 25 26 27 28 29 29 29 30 30 30 19 26 29 27 30 10 11 15 14 16 42 19 23 50 8 9 12 31 10 32 33 11 34 35 36 37 38 39 13 14 16 18 17 19 40 41 20 43 44 45 21 46 22 47 22 48 49 24 25 27 51 26 52 28 28 53 54 55 56 57 58 59 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 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 1 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 56 57 58 59 7.5673 9.7884 10.5028 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 8.8564 8.4993 9.4778 9.8349 10.1456 10.7669 11.4813 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 8.6638 8.0852 10.7523 10.8948 11.3736 10.6391 11.6091 12.088 11.3534 0.6241 4.6324 1.2428 0.2117 -4.2493 2.319 -1.6893 -0.945 -1.4831 0.0055 -0.5326 -2.6399 -2.9446 -3.4446 1.1622 -3.9446 -3.4446 -2.4446 1.3684 -4.4446 -2.9446 -3.9446 2.5252 1.7809 3.4757 3.6819 1.9871 2.9376 4.8386 1.449 -2.1508 -0.653 -1.433 -2.1028 -1.5705 0.6251 0.0928 -0.8246 -0.0447 1.7819 1.2496 -4.8386 -4.0646 -3.4446 -2.8246 -1.8246 -5.0646 -2.6346 -4.2546 2.7804 1.1916 3.9372 3.0655 4.232 4.9665 5.4453 0.8423 1.5769 2.0557 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 12 12 13 13 16 18 20 21 23 23 24 25 26 27 14 16 13 14 16 18 20 21 22 22 24 25 27 26 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 554 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001600000003C608000000000005801F400001E00100000000D0CC19E0632C6F3C99400A80325725400828820212220089920BE6C980C67E2C4B1BB94302867D41DC8E80790F0CF0E8000000A000200000000001400040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-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>-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidino]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H29N3O3/c1-16-24(21-6-4-5-7-22(21)25-16)17-8-10-27(11-9-17)15-23(28)26-18-12-19(29-2)14-20(13-18)30-3/h4-7,12-14,17,25H,8-11,15H2,1-3H3,(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OOPUNMKFRVBPLU-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 2021.05.07 407.22089180 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H29N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 407.5 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(=CC(=C4)OC)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(=CC(=C4)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 66.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 407.22089180 30 0 0 0 0 0 0 0 1 -1