1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide

C26H29ClN4O4 — CID 55457855

IUPAC1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCOc1cc(OC)cc(C(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c2nccn2C)c1
InChIInChI=1S/C26H29ClN4O4/c1-30-12-10-28-24(30)23(19-13-21(34-2)15-22(14-19)35-3)29-25(32)18-5-4-11-31(16-18)26(33)17-6-8-20(27)9-7-17/h6-10,12-15,18,23H,4-5,11,16H2,1-3H3,(H,29,32)
InChIKeyDAJMTEBHNZZXQT-UHFFFAOYSA-N
MW497.00 g/mol
LogP3.85
Rot. Bonds7

About 1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 55457855) has the molecular formula C26H29ClN4O4 and a molecular weight of 497.00 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID55457855
Molecular FormulaC26H29ClN4O4
Molecular Weight497.00 g/mol
Exact Mass496.19
IUPAC Name1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCOc1cc(OC)cc(C(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c2nccn2C)c1
InChIInChI=1S/C26H29ClN4O4/c1-30-12-10-28-24(30)23(19-13-21(34-2)15-22(14-19)35-3)29-25(32)18-5-4-11-31(16-18)26(33)17-6-8-20(27)9-7-17/h6-10,12-15,18,23H,4-5,11,16H2,1-3H3,(H,29,32)
InChIKeyDAJMTEBHNZZXQT-UHFFFAOYSA-N
XLogP3.85
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 39724956
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42924134
(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide
CID 51927315
(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 27035334
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55457251
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
(E)-3-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 24625709
(3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 98681879
(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 51923958

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 55457855) is 1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide is COc1cc(OC)cc(C(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c2nccn2C)c1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is DAJMTEBHNZZXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4/c1-30-12-10-28-24(30)23(19-13-21(34-2)15-22(14-19)35-3)29-25(32)18-5-4-11-31(16-18)26(33)17-6-8-20(27)9-7-17/h6-10,12-15,18,23H,4-5,11,16H2,1-3H3,(H,29,32).
What are the key properties of 1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 497.00 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55457855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).