1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C21H21F2N3O2 — CID 136540620

IUPAC1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2F)C1)N1CCNC(c2cccc(F)c2)C1
InChIInChI=1S/C21H21F2N3O2/c22-16-5-3-4-14(10-16)18-13-25(9-8-24-18)21(28)15-11-20(27)26(12-15)19-7-2-1-6-17(19)23/h1-7,10,15,18,24H,8-9,11-13H2
InChIKeyJMQKZBVEGSEHNI-UHFFFAOYSA-N
MW385.41 g/mol
LogP2.49
Rot. Bonds3

About 1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 136540620) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID136540620
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2F)C1)N1CCNC(c2cccc(F)c2)C1
InChIInChI=1S/C21H21F2N3O2/c22-16-5-3-4-14(10-16)18-13-25(9-8-24-18)21(28)15-11-20(27)26(12-15)19-7-2-1-6-17(19)23/h1-7,10,15,18,24H,8-9,11-13H2
InChIKeyJMQKZBVEGSEHNI-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 42650970
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-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
1-(2-ethylphenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42909140
1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731172
(3S)-4-[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]-3-phenylpiperazin-2-one
CID 52521030
1-(2-fluorophenyl)-4-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43060556
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42652011
1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 4278143
(4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 38409779

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 136540620) is 1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2F)C1)N1CCNC(c2cccc(F)c2)C1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is JMQKZBVEGSEHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-16-5-3-4-14(10-16)18-13-25(9-8-24-18)21(28)15-11-20(27)26(12-15)19-7-2-1-6-17(19)23/h1-7,10,15,18,24H,8-9,11-13H2.
What are the key properties of 1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 385.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[3-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 136540620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).