1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one

C15H22N4O2 — CID 120994925

IUPAC1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C15H22N4O2/c20-14-3-1-2-7-18(14)12-15(21)19-8-4-13(11-19)17-9-5-16-6-10-17/h1-3,7,13,16H,4-6,8-12H2
InChIKeyKYGWKXWTLGZWFC-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.65
Rot. Bonds3

About 1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one

1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one (PubChem CID 120994925) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
PubChem CID120994925
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C15H22N4O2/c20-14-3-1-2-7-18(14)12-15(21)19-8-4-13(11-19)17-9-5-16-6-10-17/h1-3,7,13,16H,4-6,8-12H2
InChIKeyKYGWKXWTLGZWFC-UHFFFAOYSA-N
XLogP-0.65
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

10-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]acridin-9-one;hydrochloride
CID 120996346
1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 120995731
2-(2-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996651
4-methyl-4-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 120994951
1-[2-oxo-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 71993940
1-methyl-3-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]benzimidazol-2-one;hydrochloride
CID 120995124
2-(4-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995454
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
2-(2-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997580
2-(1,4-diazepan-1-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167161
4,4,4-trifluoro-3-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995820
2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one (CID 120994925) is 1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one is O=C(Cn1ccccc1=O)N1CCC(N2CCNCC2)C1.
What is the InChIKey of 1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is KYGWKXWTLGZWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14-3-1-2-7-18(14)12-15(21)19-8-4-13(11-19)17-9-5-16-6-10-17/h1-3,7,13,16H,4-6,8-12H2.
What are the key properties of 1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one?
1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 290.37 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 120994925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).