N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide

C21H22N4O2 — CID 108554529

IUPACN-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(C(=O)N2CCC(NC(=O)c3ccc4nc[nH]c4c3)CC2)c1
InChIInChI=1S/C21H22N4O2/c1-14-3-2-4-16(11-14)21(27)25-9-7-17(8-10-25)24-20(26)15-5-6-18-19(12-15)23-13-22-18/h2-6,11-13,17H,7-10H2,1H3,(H,22,23)(H,24,26)
InChIKeyGYPQGXAPTYCCAL-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.91
Rot. Bonds3

About N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide

N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 108554529) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID108554529
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(C(=O)N2CCC(NC(=O)c3ccc4nc[nH]c4c3)CC2)c1
InChIInChI=1S/C21H22N4O2/c1-14-3-2-4-16(11-14)21(27)25-9-7-17(8-10-25)24-20(26)15-5-6-18-19(12-15)23-13-22-18/h2-6,11-13,17H,7-10H2,1H3,(H,22,23)(H,24,26)
InChIKeyGYPQGXAPTYCCAL-UHFFFAOYSA-N
XLogP2.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-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

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556405
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 56795021
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (CID 108554529) is N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is Cc1cccc(C(=O)N2CCC(NC(=O)c3ccc4nc[nH]c4c3)CC2)c1.
What is the InChIKey of N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is GYPQGXAPTYCCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-3-2-4-16(11-14)21(27)25-9-7-17(8-10-25)24-20(26)15-5-6-18-19(12-15)23-13-22-18/h2-6,11-13,17H,7-10H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 108554529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).