2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide

C15H18N4O2 — CID 18428036

IUPAC2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(=O)N1CCCC(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C15H18N4O2/c1-9(20)19-7-3-4-10(8-19)15-17-12-6-2-5-11(14(16)21)13(12)18-15/h2,5-6,10H,3-4,7-8H2,1H3,(H2,16,21)(H,17,18)
InChIKeyJTQSHZXAEIJZEX-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.39
Rot. Bonds2

About 2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide

2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 18428036) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID18428036
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(=O)N1CCCC(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C15H18N4O2/c1-9(20)19-7-3-4-10(8-19)15-17-12-6-2-5-11(14(16)21)13(12)18-15/h2,5-6,10H,3-4,7-8H2,1H3,(H2,16,21)(H,17,18)
InChIKeyJTQSHZXAEIJZEX-UHFFFAOYSA-N
XLogP1.39
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-acetylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428045
2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137901
2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137868
2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 18428049
2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 25190722
2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137873
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158
2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137872
2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
CID 25190740
3-[2-[3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]propanoic acid
CID 167686172
2-(1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 25190747

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 18428036) is 2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide is CC(=O)N1CCCC(c2nc3c(C(N)=O)cccc3[nH]2)C1.
What is the InChIKey of 2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is JTQSHZXAEIJZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9(20)19-7-3-4-10(8-19)15-17-12-6-2-5-11(14(16)21)13(12)18-15/h2,5-6,10H,3-4,7-8H2,1H3,(H2,16,21)(H,17,18).
What are the key properties of 2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18428036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).