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

C23H24FN3O3 — CID 55611581

IUPAC4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)c(F)c1
InChIInChI=1S/C23H24FN3O3/c1-16(28)17-7-8-21(20(24)13-17)25-9-11-26(12-10-25)23(30)18-14-22(29)27(15-18)19-5-3-2-4-6-19/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeyXRKLVFXHEQREAP-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.73
Rot. Bonds4

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

4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 55611581) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID55611581
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)c(F)c1
InChIInChI=1S/C23H24FN3O3/c1-16(28)17-7-8-21(20(24)13-17)25-9-11-26(12-10-25)23(30)18-14-22(29)27(15-18)19-5-3-2-4-6-19/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeyXRKLVFXHEQREAP-UHFFFAOYSA-N
XLogP2.73
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118737
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-(4-chloro-2-methylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113187702
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 4278143
N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118599
1-[4-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 17448030
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 55611581) is 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is CC(=O)c1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)c(F)c1.
What is the InChIKey of 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is XRKLVFXHEQREAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-16(28)17-7-8-21(20(24)13-17)25-9-11-26(12-10-25)23(30)18-14-22(29)27(15-18)19-5-3-2-4-6-19/h2-8,13,18H,9-12,14-15H2,1H3.
What are the key properties of 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 409.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 55611581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).