1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide

C20H28N4O — CID 20882807

IUPAC1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)CC1
InChIInChI=1S/C20H28N4O/c1-14-6-8-16(9-7-14)21-19(25)15-10-12-24(13-11-15)20-22-17-4-2-3-5-18(17)23-20/h2-5,14-16H,6-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyQVGYZIIAVKWLKF-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.47
Rot. Bonds3

About 1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide

1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 20882807) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID20882807
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)CC1
InChIInChI=1S/C20H28N4O/c1-14-6-8-16(9-7-14)21-19(25)15-10-12-24(13-11-15)20-22-17-4-2-3-5-18(17)23-20/h2-5,14-16H,6-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyQVGYZIIAVKWLKF-UHFFFAOYSA-N
XLogP3.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide (CID 20882807) is 1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide is CC1CCC(NC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)CC1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is QVGYZIIAVKWLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-6-8-16(9-7-14)21-19(25)15-10-12-24(13-11-15)20-22-17-4-2-3-5-18(17)23-20/h2-5,14-16H,6-13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 20882807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).