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

C21H21F2N3O2 — CID 46663955

IUPAC1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21F2N3O2/c22-16-5-7-17(8-6-16)24-9-11-25(12-10-24)21(28)15-13-20(27)26(14-15)19-4-2-1-3-18(19)23/h1-8,15H,9-14H2
InChIKeySZCRRPXVYYIAAH-UHFFFAOYSA-N
MW385.41 g/mol
LogP2.67
Rot. Bonds3

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

1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 46663955) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID46663955
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21F2N3O2/c22-16-5-7-17(8-6-16)24-9-11-25(12-10-24)21(28)15-13-20(27)26(14-15)19-4-2-1-3-18(19)23/h1-8,15H,9-14H2
InChIKeySZCRRPXVYYIAAH-UHFFFAOYSA-N
XLogP2.67
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51175375
(4R)-1-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9081525
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 42650970
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
4-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118737
1-(2,5-dimethylphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17151750
1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 4278143
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310631
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 46663955) is 1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is SZCRRPXVYYIAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-16-5-7-17(8-6-16)24-9-11-25(12-10-24)21(28)15-13-20(27)26(14-15)19-4-2-1-3-18(19)23/h1-8,15H,9-14H2.
What are the key properties of 1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 385.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 46663955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).