N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid

C154H205F5N20O16 — CID 157064984

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid
SMILESCC(=O)N1CCC(CN)CC1.CC(=O)N1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.CCN1CCC(CN)CC1.CCN1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)CC1.CCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(O)C(=O)O.O=C(O)C(=O)O.OOCCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
InChIInChI=1S/C31H39FN4O2.C31H41FN4O.C25H30FN3O.C24H28FN3O.C23H29FN2O2.C8H16N2O.C8H18N2.2C2H2O4/c1-23(37)35-17-8-24(9-18-35)22-33-31(38)21-25-6-7-27-11-19-36(30(27)20-25)28-12-15-34(16-13-28)14-10-26-4-2-3-5-29(26)32;1-2-34-15-10-25(11-16-34)23-33-31(37)22-26-3-6-27-12-20-36(30(27)21-26)29-13-18-35(19-14-29)17-9-24-4-7-28(32)8-5-24;1-2-27-25(30)18-19-7-8-21-10-16-29(24(21)17-19)22-11-14-28(15-12-22)13-9-20-5-3-4-6-23(20)26;1-26-24(29)17-18-6-7-20-9-15-28(23(20)16-18)21-10-13-27(14-11-21)12-8-19-4-2-3-5-22(19)25;24-22-4-2-1-3-19(22)7-12-25-13-9-21(10-14-25)26-15-8-20-6-5-18(11-16-28-27)17-23(20)26;1-7(11)10-4-2-8(6-9)3-5-10;1-2-10-5-3-8(7-9)4-6-10;2*3-1(4)2(5)6/h2-7,11,19-20,24,28H,8-10,12-18,21-22H2,1H3,(H,33,38);3-8,12,20-21,25,29H,2,9-11,13-19,22-23H2,1H3,(H,33,37);3-8,10,16-17,22H,2,9,11-15,18H2,1H3,(H,27,30);2-7,9,15-16,21H,8,10-14,17H2,1H3,(H,26,29);1-6,17,21,27H,7-16H2;8H,2-6,9H2,1H3;8H,2-7,9H2,1H3;2*(H,3,4)(H,5,6)
InChIKeyXENMVEUNUHSBFB-UHFFFAOYSA-N
MW2687.45 g/mol
LogP21.03
Rot. Bonds40

About N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid

N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid (PubChem CID 157064984) has the molecular formula C154H205F5N20O16 and a molecular weight of 2687.45 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid
PubChem CID157064984
Molecular FormulaC154H205F5N20O16
Molecular Weight2687.45 g/mol
Exact Mass2685.58
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid
SMILESCC(=O)N1CCC(CN)CC1.CC(=O)N1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.CCN1CCC(CN)CC1.CCN1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)CC1.CCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(O)C(=O)O.O=C(O)C(=O)O.OOCCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
InChIInChI=1S/C31H39FN4O2.C31H41FN4O.C25H30FN3O.C24H28FN3O.C23H29FN2O2.C8H16N2O.C8H18N2.2C2H2O4/c1-23(37)35-17-8-24(9-18-35)22-33-31(38)21-25-6-7-27-11-19-36(30(27)20-25)28-12-15-34(16-13-28)14-10-26-4-2-3-5-29(26)32;1-2-34-15-10-25(11-16-34)23-33-31(37)22-26-3-6-27-12-20-36(30(27)21-26)29-13-18-35(19-14-29)17-9-24-4-7-28(32)8-5-24;1-2-27-25(30)18-19-7-8-21-10-16-29(24(21)17-19)22-11-14-28(15-12-22)13-9-20-5-3-4-6-23(20)26;1-26-24(29)17-18-6-7-20-9-15-28(23(20)16-18)21-10-13-27(14-11-21)12-8-19-4-2-3-5-22(19)25;24-22-4-2-1-3-19(22)7-12-25-13-9-21(10-14-25)26-15-8-20-6-5-18(11-16-28-27)17-23(20)26;1-7(11)10-4-2-8(6-9)3-5-10;1-2-10-5-3-8(7-9)4-6-10;2*3-1(4)2(5)6/h2-7,11,19-20,24,28H,8-10,12-18,21-22H2,1H3,(H,33,38);3-8,12,20-21,25,29H,2,9-11,13-19,22-23H2,1H3,(H,33,37);3-8,10,16-17,22H,2,9,11-15,18H2,1H3,(H,27,30);2-7,9,15-16,21H,8,10-14,17H2,1H3,(H,26,29);1-6,17,21,27H,7-16H2;8H,2-6,9H2,1H3;8H,2-7,9H2,1H3;2*(H,3,4)(H,5,6)
InChIKeyXENMVEUNUHSBFB-UHFFFAOYSA-N
XLogP21.03
TPSA433.36 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds40
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002687.45
LogP ≤ 521.03
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid with MolForge

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Related Compounds

(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid;methyl 1-[2-[(3S,4R)-1-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-ethylpyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate;methyl 1-[2-[(3S,4R)-4-ethyl-1-[(3R,4S)-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate;methyl 1-[2-[(3S,4R)-4-ethylpyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 159810385
4-(1-acetylpiperidin-4-yl)-2-(1H-indol-3-yl)butanoic acid;tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;tert-butyl 4-(2-iodoethyl)piperidine-1-carboxylate;methyl 3-[4-(1-acetylpiperidin-4-yl)-1-methoxy-1-oxobutan-2-yl]indole-1-carboxylate;methyl 3-[1-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1-oxobutan-2-yl]indole-1-carboxylate;methyl 3-(2-methoxy-2-oxoethyl)indole-1-carboxylate;2-piperidin-4-ylethanol
CID 157096031
CID 157248397
CID 157248397
CID 157248403
CID 157248403
(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(1-methylindol-6-yl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,7S,9S,13S,16S,19S)-16-[(1S)-1-hydroxyethyl]-4,9,13,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(1-methylindol-6-yl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(1-methylindol-6-yl)acetyl]amino]-3-phenylpropanamide
CID 157330931
6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetic acid;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid
CID 157598636
N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-propylacetamide;oxalic acid;hydrate
CID 157762245
hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methyl-2-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(5-methyl-3-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-2-pyridinyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(2-fluoro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157927940
N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid
CID 158079880
1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one
CID 158094181
N-[[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[4-(4-fluorophenyl)butyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]imidazolidine-2,4-dione;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]imidazolidin-2-one;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-2-methylpropanamide;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]pyrrolidin-2-one;methane;oxalic acid
CID 158305188
6-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]cyclopropanecarboxamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-2-hydroxyacetamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-N-methylacetamide;N-[[1-[1-[3-(4-fluorophenyl)propyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid
CID 158384794

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid (CID 157064984) is N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid is CC(=O)N1CCC(CN)CC1.CC(=O)N1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.CCN1CCC(CN)CC1.CCN1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)CC1.CCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(O)C(=O)O.O=C(O)C(=O)O.OOCCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid?
The InChIKey is XENMVEUNUHSBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN4O2.C31H41FN4O.C25H30FN3O.C24H28FN3O.C23H29FN2O2.C8H16N2O.C8H18N2.2C2H2O4/c1-23(37)35-17-8-24(9-18-35)22-33-31(38)21-25-6-7-27-11-19-36(30(27)20-25)28-12-15-34(16-13-28)14-10-26-4-2-3-5-29(26)32;1-2-34-15-10-25(11-16-34)23-33-31(37)22-26-3-6-27-12-20-36(30(27)21-26)29-13-18-35(19-14-29)17-9-24-4-7-28(32)8-5-24;1-2-27-25(30)18-19-7-8-21-10-16-29(24(21)17-19)22-11-14-28(15-12-22)13-9-20-5-3-4-6-23(20)26;1-26-24(29)17-18-6-7-20-9-15-28(23(20)16-18)21-10-13-27(14-11-21)12-8-19-4-2-3-5-22(19)25;24-22-4-2-1-3-19(22)7-12-25-13-9-21(10-14-25)26-15-8-20-6-5-18(11-16-28-27)17-23(20)26;1-7(11)10-4-2-8(6-9)3-5-10;1-2-10-5-3-8(7-9)4-6-10;2*3-1(4)2(5)6/h2-7,11,19-20,24,28H,8-10,12-18,21-22H2,1H3,(H,33,38);3-8,12,20-21,25,29H,2,9-11,13-19,22-23H2,1H3,(H,33,37);3-8,10,16-17,22H,2,9,11-15,18H2,1H3,(H,27,30);2-7,9,15-16,21H,8,10-14,17H2,1H3,(H,26,29);1-6,17,21,27H,7-16H2;8H,2-6,9H2,1H3;8H,2-7,9H2,1H3;2*(H,3,4)(H,5,6).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid?
N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid has a molecular weight of 2687.45 g/mol, XLogP of 21.03, 40 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid is sourced from PubChem (CID 157064984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).