5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

C17H22FN3O2 — CID 110373871

IUPAC5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CCC(=O)N2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN3O2/c1-2-19-9-11-20(12-10-19)17(23)15-7-8-16(22)21(15)14-5-3-13(18)4-6-14/h3-6,15H,2,7-12H2,1H3
InChIKeyCOQVFBFGIOQFSY-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.49
Rot. Bonds3

About 5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 110373871) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID110373871
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CCC(=O)N2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN3O2/c1-2-19-9-11-20(12-10-19)17(23)15-7-8-16(22)21(15)14-5-3-13(18)4-6-14/h3-6,15H,2,7-12H2,1H3
InChIKeyCOQVFBFGIOQFSY-UHFFFAOYSA-N
XLogP1.49
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373917
methyl (2S)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261076
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373773
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110414262
5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110416840
N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373922
1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110373855
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373944
(5R)-5-[2-[4-[2-(4-ethylpiperazine-1-carbonyl)-5-oxopyrrolidin-1-yl]phenyl]ethynyl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58042017
N-cyclopentyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373858
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110607801

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one (CID 110373871) is 5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one is CCN1CCN(C(=O)C2CCC(=O)N2c2ccc(F)cc2)CC1.
What is the InChIKey of 5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is COQVFBFGIOQFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-2-19-9-11-20(12-10-19)17(23)15-7-8-16(22)21(15)14-5-3-13(18)4-6-14/h3-6,15H,2,7-12H2,1H3.
What are the key properties of 5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 319.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 110373871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).