1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide

C21H24N4O3 — CID 46359196

IUPAC1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C21H24N4O3/c1-27-15-9-10-19(28-2)18(12-15)22-20(26)14-6-5-11-25(13-14)21-23-16-7-3-4-8-17(16)24-21/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyHRMWRTFCNWVMQY-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.44
Rot. Bonds5

About 1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide

1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 46359196) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
PubChem CID46359196
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C21H24N4O3/c1-27-15-9-10-19(28-2)18(12-15)22-20(26)14-6-5-11-25(13-14)21-23-16-7-3-4-8-17(16)24-21/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyHRMWRTFCNWVMQY-UHFFFAOYSA-N
XLogP3.44
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 140931154
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876919
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876918
N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118430
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
N-(2,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47986267
1-(1H-benzimidazol-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133409751
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009810
(3R)-N-(2,5-dimethoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39313049
(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 97047734
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide (CID 46359196) is 1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2CCCN(c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is HRMWRTFCNWVMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-15-9-10-19(28-2)18(12-15)22-20(26)14-6-5-11-25(13-14)21-23-16-7-3-4-8-17(16)24-21/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46359196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).