1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one

C15H18FN3O2 — CID 42650970

IUPAC1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2F)C1)N1CCNCC1
InChIInChI=1S/C15H18FN3O2/c16-12-3-1-2-4-13(12)19-10-11(9-14(19)20)15(21)18-7-5-17-6-8-18/h1-4,11,17H,5-10H2
InChIKeyZGNDZHRBVGXHCB-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.61
Rot. Bonds2

About 1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one

1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 42650970) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID42650970
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2F)C1)N1CCNCC1
InChIInChI=1S/C15H18FN3O2/c16-12-3-1-2-4-13(12)19-10-11(9-14(19)20)15(21)18-7-5-17-6-8-18/h1-4,11,17H,5-10H2
InChIKeyZGNDZHRBVGXHCB-UHFFFAOYSA-N
XLogP0.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46663955
1-(2-fluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51175375
1-(2-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrate;hydrochloride
CID 21128885
1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 136540620
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
1-(2-fluorophenyl)-4-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43060556
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42652011
N,N-diethyl-2-[4-[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 55446956
(4S)-1-(2-fluorophenyl)-4-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29140373
1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731172
4-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118737

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one (CID 42650970) is 1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2F)C1)N1CCNCC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ZGNDZHRBVGXHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-12-3-1-2-4-13(12)19-10-11(9-14(19)20)15(21)18-7-5-17-6-8-18/h1-4,11,17H,5-10H2.
What are the key properties of 1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 291.33 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 42650970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).