N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide

C77H80Cl3N13O6 — CID 162113931

IUPACN-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccncc1)C1CCN(C(=O)c2cccn2Cc2ccc(Cl)cc2)CC1.O=C(NCCc1ccncc1)C1CCN(C(=O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCc1ccccc1)C1CCN(C(=O)c2nccn2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H28ClN5O2.C25H27ClN4O2.C24H25ClN4O2/c29-23-7-5-21(6-8-23)19-34-25-4-2-1-3-24(25)32-26(34)28(36)33-17-12-22(13-18-33)27(35)31-16-11-20-9-14-30-15-10-20;26-22-5-3-20(4-6-22)18-30-15-1-2-23(30)25(32)29-16-10-21(11-17-29)24(31)28-14-9-19-7-12-27-13-8-19;25-21-8-6-19(7-9-21)17-29-15-12-26-22(29)24(31)28-13-10-20(11-14-28)23(30)27-16-18-4-2-1-3-5-18/h1-10,14-15,22H,11-13,16-19H2,(H,31,35);1-8,12-13,15,21H,9-11,14,16-18H2,(H,28,31);1-9,12,15,20H,10-11,13-14,16-17H2,(H,27,30)
InChIKeyZGNCHUIBHCHBMU-UHFFFAOYSA-N
MW1389.93 g/mol
LogP11.89
Rot. Bonds20

About N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide

N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 162113931) has the molecular formula C77H80Cl3N13O6 and a molecular weight of 1389.93 g/mol. Its IUPAC name is N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
PubChem CID162113931
Molecular FormulaC77H80Cl3N13O6
Molecular Weight1389.93 g/mol
Exact Mass1387.54
IUPAC NameN-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccncc1)C1CCN(C(=O)c2cccn2Cc2ccc(Cl)cc2)CC1.O=C(NCCc1ccncc1)C1CCN(C(=O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCc1ccccc1)C1CCN(C(=O)c2nccn2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H28ClN5O2.C25H27ClN4O2.C24H25ClN4O2/c29-23-7-5-21(6-8-23)19-34-25-4-2-1-3-24(25)32-26(34)28(36)33-17-12-22(13-18-33)27(35)31-16-11-20-9-14-30-15-10-20;26-22-5-3-20(4-6-22)18-30-15-1-2-23(30)25(32)29-16-10-21(11-17-29)24(31)28-14-9-19-7-12-27-13-8-19;25-21-8-6-19(7-9-21)17-29-15-12-26-22(29)24(31)28-13-10-20(11-14-28)23(30)27-16-18-4-2-1-3-5-18/h1-10,14-15,22H,11-13,16-19H2,(H,31,35);1-8,12-13,15,21H,9-11,14,16-18H2,(H,28,31);1-9,12,15,20H,10-11,13-14,16-17H2,(H,27,30)
InChIKeyZGNCHUIBHCHBMU-UHFFFAOYSA-N
XLogP11.89
TPSA214.58 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001389.93
LogP ≤ 511.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(1-(4-chlorobenzyl)-1H-benzo[d]imidazole-2-carbonyl)-N-(2-(pyridin-4-yl)ethyl)piperidine-4-carboxamide
CID 66571519
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-imidazol-1-ylethyl)piperidine-4-carboxamide
CID 72737054
2-(2-(4-chlorophenyl)-1H-benzo[d]imidazol-1-yl)-N-cyclohexyl-2-(pyridin-4-yl)acetamide
CID 53318648
4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 158539402
tert-butyl 4-[[2-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]benzimidazol-1-yl]methyl]piperidine-1-carboxylate;bis(N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide)
CID 159529470
N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-ethylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-ethylimidazo[4,5-c]pyridine-6-carboxamide
CID 160119424
N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 160608593
N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 162190396
7-[6-[8-[(4-Chloro-2-fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carbonyl]-3-pyridinyl]-2-(3,4-difluoroanilino)-6-methyl-9-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]purin-8-one
CID 171068220
7-[6-[8-[(4-Chloro-2-fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carbonyl]-3-pyridinyl]-6-methyl-9-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2-(3,3,3-trifluoropropylamino)purin-8-one
CID 171068267
Tert-butyl 4-[7-[6-[8-[(4-chloro-2-fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carbonyl]-3-pyridinyl]-2-(3-fluoroanilino)-6-methyl-8-oxopurin-9-yl]piperidine-1-carboxylate
CID 171068274
7-[6-[8-[(4-Chloro-2-fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carbonyl]-3-pyridinyl]-2-(3-fluoroanilino)-6-methyl-9-piperidin-4-ylpurin-8-one
CID 171068307

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (CID 162113931) is N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is O=C(NCCc1ccncc1)C1CCN(C(=O)c2cccn2Cc2ccc(Cl)cc2)CC1.O=C(NCCc1ccncc1)C1CCN(C(=O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCc1ccccc1)C1CCN(C(=O)c2nccn2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is ZGNCHUIBHCHBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O2.C25H27ClN4O2.C24H25ClN4O2/c29-23-7-5-21(6-8-23)19-34-25-4-2-1-3-24(25)32-26(34)28(36)33-17-12-22(13-18-33)27(35)31-16-11-20-9-14-30-15-10-20;26-22-5-3-20(4-6-22)18-30-15-1-2-23(30)25(32)29-16-10-21(11-17-29)24(31)28-14-9-19-7-12-27-13-8-19;25-21-8-6-19(7-9-21)17-29-15-12-26-22(29)24(31)28-13-10-20(11-14-28)23(30)27-16-18-4-2-1-3-5-18/h1-10,14-15,22H,11-13,16-19H2,(H,31,35);1-8,12-13,15,21H,9-11,14,16-18H2,(H,28,31);1-9,12,15,20H,10-11,13-14,16-17H2,(H,27,30).
What are the key properties of N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 1389.93 g/mol, XLogP of 11.89, 20 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-[(4-chlorophenyl)methyl]imidazole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]benzimidazole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 162113931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).