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

C21H22N4O3 — CID 108554460

IUPACN-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccc4nc[nH]c4c3)CC2)cc1
InChIInChI=1S/C21H22N4O3/c1-28-17-5-2-14(3-6-17)21(27)25-10-8-16(9-11-25)24-20(26)15-4-7-18-19(12-15)23-13-22-18/h2-7,12-13,16H,8-11H2,1H3,(H,22,23)(H,24,26)
InChIKeyFCKKXGMJYXJOAD-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.61
Rot. Bonds4

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

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 108554460) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID108554460
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccc4nc[nH]c4c3)CC2)cc1
InChIInChI=1S/C21H22N4O3/c1-28-17-5-2-14(3-6-17)21(27)25-10-8-16(9-11-25)24-20(26)15-4-7-18-19(12-15)23-13-22-18/h2-7,12-13,16H,8-11H2,1H3,(H,22,23)(H,24,26)
InChIKeyFCKKXGMJYXJOAD-UHFFFAOYSA-N
XLogP2.61
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108561553
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
CID 108561542
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (CID 108554460) is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is COc1ccc(C(=O)N2CCC(NC(=O)c3ccc4nc[nH]c4c3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is FCKKXGMJYXJOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-17-5-2-14(3-6-17)21(27)25-10-8-16(9-11-25)24-20(26)15-4-7-18-19(12-15)23-13-22-18/h2-7,12-13,16H,8-11H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 108554460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).