1-(3H-benzimidazole-5-carbonyl)piperidin-4-one

C13H13N3O2 — CID 110483748

IUPAC1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C13H13N3O2/c17-10-3-5-16(6-4-10)13(18)9-1-2-11-12(7-9)15-8-14-11/h1-2,7-8H,3-6H2,(H,14,15)
InChIKeyFMLOPKPTOGJMEM-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.37
Rot. Bonds1

About 1-(3H-benzimidazole-5-carbonyl)piperidin-4-one

1-(3H-benzimidazole-5-carbonyl)piperidin-4-one (PubChem CID 110483748) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(3H-benzimidazole-5-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
PubChem CID110483748
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C13H13N3O2/c17-10-3-5-16(6-4-10)13(18)9-1-2-11-12(7-9)15-8-14-11/h1-2,7-8H,3-6H2,(H,14,15)
InChIKeyFMLOPKPTOGJMEM-UHFFFAOYSA-N
XLogP1.37
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43582193
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 126783994
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069
3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802688
3H-benzimidazol-5-yl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 99200972
prop-2-enyl 4-(3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 108569341
[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108547387

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazole-5-carbonyl)piperidin-4-one?
The IUPAC name of 1-(3H-benzimidazole-5-carbonyl)piperidin-4-one (CID 110483748) is 1-(3H-benzimidazole-5-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(3H-benzimidazole-5-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(3H-benzimidazole-5-carbonyl)piperidin-4-one is O=C1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 1-(3H-benzimidazole-5-carbonyl)piperidin-4-one?
The InChIKey is FMLOPKPTOGJMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-10-3-5-16(6-4-10)13(18)9-1-2-11-12(7-9)15-8-14-11/h1-2,7-8H,3-6H2,(H,14,15).
What are the key properties of 1-(3H-benzimidazole-5-carbonyl)piperidin-4-one?
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one has a molecular weight of 243.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazole-5-carbonyl)piperidin-4-one is sourced from PubChem (CID 110483748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).