N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide

C116H121Cl3N12O8 — CID 159909456

IUPACN-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1.CC(CNC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)C2=Cc3ccccc3C2)CC1.O=C(NCc1ccccc1)C1CCCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C33H36ClN3O2.C30H31ClN4O2.C29H28ClN3O2.C24H26N2O2/c1-23(2)26-11-7-24(8-12-26)15-18-35-32(38)27-16-19-36(20-17-27)33(39)31-21-28-5-3-4-6-30(28)37(31)22-25-9-13-29(34)14-10-25;1-21(23-10-14-32-15-11-23)19-33-29(36)24-12-16-34(17-13-24)30(37)28-18-25-4-2-3-5-27(25)35(28)20-22-6-8-26(31)9-7-22;30-25-14-12-22(13-15-25)19-33-26-11-5-4-9-23(26)17-27(33)29(35)32-16-6-10-24(20-32)28(34)31-18-21-7-2-1-3-8-21;1-25(17-18-7-3-2-4-8-18)23(27)19-11-13-26(14-12-19)24(28)22-15-20-9-5-6-10-21(20)16-22/h3-14,21,23,27H,15-20,22H2,1-2H3,(H,35,38);2-11,14-15,18,21,24H,12-13,16-17,19-20H2,1H3,(H,33,36);1-5,7-9,11-15,17,24H,6,10,16,18-20H2,(H,31,34);2-10,15,19H,11-14,16-17H2,1H3
InChIKeyNWZNOBDREOVOJU-UHFFFAOYSA-N
MW1917.68 g/mol
LogP21.22
Rot. Bonds25

About N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide

N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 159909456) has the molecular formula C116H121Cl3N12O8 and a molecular weight of 1917.68 g/mol. Its IUPAC name is N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID159909456
Molecular FormulaC116H121Cl3N12O8
Molecular Weight1917.68 g/mol
Exact Mass1914.85
IUPAC NameN-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1.CC(CNC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)C2=Cc3ccccc3C2)CC1.O=C(NCc1ccccc1)C1CCCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C33H36ClN3O2.C30H31ClN4O2.C29H28ClN3O2.C24H26N2O2/c1-23(2)26-11-7-24(8-12-26)15-18-35-32(38)27-16-19-36(20-17-27)33(39)31-21-28-5-3-4-6-30(28)37(31)22-25-9-13-29(34)14-10-25;1-21(23-10-14-32-15-11-23)19-33-29(36)24-12-16-34(17-13-24)30(37)28-18-25-4-2-3-5-27(25)35(28)20-22-6-8-26(31)9-7-22;30-25-14-12-22(13-15-25)19-33-26-11-5-4-9-23(26)17-27(33)29(35)32-16-6-10-24(20-32)28(34)31-18-21-7-2-1-3-8-21;1-25(17-18-7-3-2-4-8-18)23(27)19-11-13-26(14-12-19)24(28)22-15-20-9-5-6-10-21(20)16-22/h3-14,21,23,27H,15-20,22H2,1-2H3,(H,35,38);2-11,14-15,18,21,24H,12-13,16-17,19-20H2,1H3,(H,33,36);1-5,7-9,11-15,17,24H,6,10,16,18-20H2,(H,31,34);2-10,15,19H,11-14,16-17H2,1H3
InChIKeyNWZNOBDREOVOJU-UHFFFAOYSA-N
XLogP21.22
TPSA216.53 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001917.68
LogP ≤ 521.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide 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

spantide II
CID 16131028
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(2-(pyridin-4-yl)propyl)piperidine-4-carboxamide
CID 66571338
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 57385795
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(2-(pyridin-2-yl)ethyl)piperidine-4-carboxamide
CID 66571276
CID 138610555
CID 138610555
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 157125572
N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1-methylindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-(1-ethylindol-5-yl)acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
CID 157675599
N-[[5-[2-[2-(2-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(3-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 157743557
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methyl-1-oxo-3H-isoindol-5-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 158486453
1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;[3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone
CID 158825907
CID 158910826
CID 158910826
1-[1-[2,4-Dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one
CID 158999844

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide (CID 159909456) is N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide is CC(C)c1ccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1.CC(CNC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)C2=Cc3ccccc3C2)CC1.O=C(NCc1ccccc1)C1CCCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is NWZNOBDREOVOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36ClN3O2.C30H31ClN4O2.C29H28ClN3O2.C24H26N2O2/c1-23(2)26-11-7-24(8-12-26)15-18-35-32(38)27-16-19-36(20-17-27)33(39)31-21-28-5-3-4-6-30(28)37(31)22-25-9-13-29(34)14-10-25;1-21(23-10-14-32-15-11-23)19-33-29(36)24-12-16-34(17-13-24)30(37)28-18-25-4-2-3-5-27(25)35(28)20-22-6-8-26(31)9-7-22;30-25-14-12-22(13-15-25)19-33-26-11-5-4-9-23(26)17-27(33)29(35)32-16-6-10-24(20-32)28(34)31-18-21-7-2-1-3-8-21;1-25(17-18-7-3-2-4-8-18)23(27)19-11-13-26(14-12-19)24(28)22-15-20-9-5-6-10-21(20)16-22/h3-14,21,23,27H,15-20,22H2,1-2H3,(H,35,38);2-11,14-15,18,21,24H,12-13,16-17,19-20H2,1H3,(H,33,36);1-5,7-9,11-15,17,24H,6,10,16,18-20H2,(H,31,34);2-10,15,19H,11-14,16-17H2,1H3.
What are the key properties of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide?
N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 1917.68 g/mol, XLogP of 21.22, 25 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-3-carboxamide;N-benzyl-1-(1H-indene-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 159909456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).