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

C17H23N5O2 — CID 110821957

IUPACN-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCCCNC(=O)N1CCC(NC(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C17H23N5O2/c1-2-7-18-17(24)22-8-5-13(6-9-22)21-16(23)12-3-4-14-15(10-12)20-11-19-14/h3-4,10-11,13H,2,5-9H2,1H3,(H,18,24)(H,19,20)(H,21,23)
InChIKeyRICGNECWRLDCGS-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.88
Rot. Bonds4

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

N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 110821957) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID110821957
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCCCNC(=O)N1CCC(NC(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C17H23N5O2/c1-2-7-18-17(24)22-8-5-13(6-9-22)21-16(23)12-3-4-14-15(10-12)20-11-19-14/h3-4,10-11,13H,2,5-9H2,1H3,(H,18,24)(H,19,20)(H,21,23)
InChIKeyRICGNECWRLDCGS-UHFFFAOYSA-N
XLogP1.88
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
CID 108561542
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556
N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108561553
4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide
CID 110821964
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514

Frequently Asked Questions

What is the IUPAC name of N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (CID 110821957) is N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is CCCNC(=O)N1CCC(NC(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is RICGNECWRLDCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-7-18-17(24)22-8-5-13(6-9-22)21-16(23)12-3-4-14-15(10-12)20-11-19-14/h3-4,10-11,13H,2,5-9H2,1H3,(H,18,24)(H,19,20)(H,21,23).
What are the key properties of N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110821957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).