4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one

C20H22N4O2 — CID 70782693

IUPAC4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one
SMILESCCn1ccc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1=O
InChIInChI=1S/C20H22N4O2/c1-2-23-11-9-14(12-18(23)25)20(26)24-10-5-6-15(13-24)19-21-16-7-3-4-8-17(16)22-19/h3-4,7-9,11-12,15H,2,5-6,10,13H2,1H3,(H,21,22)
InChIKeyTYASTPHHADTLMY-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.76
Rot. Bonds3

About 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one

4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one (PubChem CID 70782693) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one
PubChem CID70782693
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one
SMILESCCn1ccc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1=O
InChIInChI=1S/C20H22N4O2/c1-2-23-11-9-14(12-18(23)25)20(26)24-10-5-6-15(13-24)19-21-16-7-3-4-8-17(16)22-19/h3-4,7-9,11-12,15H,2,5-6,10,13H2,1H3,(H,21,22)
InChIKeyTYASTPHHADTLMY-UHFFFAOYSA-N
XLogP2.76
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone
CID 46692363
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 42932421
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51928971
2-[[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
CID 55497895

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one (CID 70782693) is 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one is CCn1ccc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1=O.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one?
The InChIKey is TYASTPHHADTLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-23-11-9-14(12-18(23)25)20(26)24-10-5-6-15(13-24)19-21-16-7-3-4-8-17(16)22-19/h3-4,7-9,11-12,15H,2,5-6,10,13H2,1H3,(H,21,22).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one?
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 70782693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).