5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone

C89H88F3N9O8 — CID 91147509

IUPAC5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
SMILESC=NC(=O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.O=C(O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.O=C(c1ccc2[nH]cc(C(=O)C(F)(F)F)c2c1)N1CCC(Cc2ccccc2)CC1.O=C(c1ccc2[nH]ccc2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H21F3N2O2.C23H23N3O2.C22H22N2O3.C21H22N2O/c24-23(25,26)21(29)19-14-27-20-7-6-17(13-18(19)20)22(30)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15;1-24-22(27)20-15-25-21-8-7-18(14-19(20)21)23(28)26-11-9-17(10-12-26)13-16-5-3-2-4-6-16;25-21(17-6-7-20-18(13-17)19(14-23-20)22(26)27)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15;24-21(19-6-7-20-18(15-19)8-11-22-20)23-12-9-17(10-13-23)14-16-4-2-1-3-5-16/h1-7,13-14,16,27H,8-12H2;2-8,14-15,17,25H,1,9-13H2;1-7,13-14,16,23H,8-12H2,(H,26,27);1-8,11,15,17,22H,9-10,12-14H2
InChIKeyHIJKAGBZTKAMAK-UHFFFAOYSA-N
MW1468.73 g/mol
LogP17.34
Rot. Bonds15

About 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone

5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone (PubChem CID 91147509) has the molecular formula C89H88F3N9O8 and a molecular weight of 1468.73 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
PubChem CID91147509
Molecular FormulaC89H88F3N9O8
Molecular Weight1468.73 g/mol
Exact Mass1467.67
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
SMILESC=NC(=O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.O=C(O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.O=C(c1ccc2[nH]cc(C(=O)C(F)(F)F)c2c1)N1CCC(Cc2ccccc2)CC1.O=C(c1ccc2[nH]ccc2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H21F3N2O2.C23H23N3O2.C22H22N2O3.C21H22N2O/c24-23(25,26)21(29)19-14-27-20-7-6-17(13-18(19)20)22(30)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15;1-24-22(27)20-15-25-21-8-7-18(14-19(20)21)23(28)26-11-9-17(10-12-26)13-16-5-3-2-4-6-16;25-21(17-6-7-20-18(13-17)19(14-23-20)22(26)27)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15;24-21(19-6-7-20-18(15-19)8-11-22-20)23-12-9-17(10-13-23)14-16-4-2-1-3-5-16/h1-7,13-14,16,27H,8-12H2;2-8,14-15,17,25H,1,9-13H2;1-7,13-14,16,23H,8-12H2,(H,26,27);1-8,11,15,17,22H,9-10,12-14H2
InChIKeyHIJKAGBZTKAMAK-UHFFFAOYSA-N
XLogP17.34
TPSA228.20 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001468.73
LogP ≤ 517.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis((3R)-1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-(trifluoromethyl)indol-2-one);bis((3S)-1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-(trifluoromethyl)indol-2-one)
CID 139051028
(2S)-2,6-diamino-N-[4-[bis[4-[[(2S)-2,6-diamino-2-(1H-indole-7-carbonyl)hexanoyl]amino]phenyl]methyl]phenyl]-2-(1H-indole-7-carbonyl)hexanamide;2,2,2-trifluoroacetic acid
CID 87971199
2,4-dimethyl-1-[[2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-indol-3-ylidene]methyl]pyrrole-3-carboxylic acid;3-[[3-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]-5-methyl-1H-pyrrol-2-yl]methylidene]-4-[2-(trifluoromethyl)phenyl]-1H-indol-2-one
CID 88039506
1-amino-5,5,5-trifluoropentan-2-one;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]indolizine-8-carboxylate;methyl 6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-prop-1-ynylpyridine-3-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide
CID 123964043
2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone
CID 157088342
N-methyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-methyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-methyl-3-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propanamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2,2,2-trifluoroethyl)-1H-indole-6-carboxamide;3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2,2,2-trifluoroethyl)-1H-indole-6-carboxamide
CID 157776520
5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]ethanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 157792691
2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid;bis(N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide);2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 157916508
1-amino-5,5,5-trifluoropentan-2-one;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]indolizine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide
CID 158080984
N-(4-acetylphenyl)-2,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide;1-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-[1-[2-(dimethylamino)-2-oxoethyl]pyrrol-3-yl]indole-6-carboxylic acid;1-[2-(dimethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 158162396
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;bis(N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide);2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxylic acid
CID 158219823
bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one
CID 158252746

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone (CID 91147509) is 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone is C=NC(=O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.O=C(O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.O=C(c1ccc2[nH]cc(C(=O)C(F)(F)F)c2c1)N1CCC(Cc2ccccc2)CC1.O=C(c1ccc2[nH]ccc2c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone?
The InChIKey is HIJKAGBZTKAMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2.C23H23N3O2.C22H22N2O3.C21H22N2O/c24-23(25,26)21(29)19-14-27-20-7-6-17(13-18(19)20)22(30)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15;1-24-22(27)20-15-25-21-8-7-18(14-19(20)21)23(28)26-11-9-17(10-12-26)13-16-5-3-2-4-6-16;25-21(17-6-7-20-18(13-17)19(14-23-20)22(26)27)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15;24-21(19-6-7-20-18(15-19)8-11-22-20)23-12-9-17(10-13-23)14-16-4-2-1-3-5-16/h1-7,13-14,16,27H,8-12H2;2-8,14-15,17,25H,1,9-13H2;1-7,13-14,16,23H,8-12H2,(H,26,27);1-8,11,15,17,22H,9-10,12-14H2.
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone?
5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone has a molecular weight of 1468.73 g/mol, XLogP of 17.34, 15 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone is sourced from PubChem (CID 91147509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).