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

C23H26FN3O2 — CID 120737060

IUPAC4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(C(=O)N2CCNCC2c2cccc(F)c2)CC1=O
InChIInChI=1S/C23H26FN3O2/c1-16(17-6-3-2-4-7-17)27-15-19(13-22(27)28)23(29)26-11-10-25-14-21(26)18-8-5-9-20(24)12-18/h2-9,12,16,19,21,25H,10-11,13-15H2,1H3
InChIKeyLFDOJUPTUVDUMF-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.91
Rot. Bonds4

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

4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 120737060) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID120737060
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(C(=O)N2CCNCC2c2cccc(F)c2)CC1=O
InChIInChI=1S/C23H26FN3O2/c1-16(17-6-3-2-4-7-17)27-15-19(13-22(27)28)23(29)26-11-10-25-14-21(26)18-8-5-9-20(24)12-18/h2-9,12,16,19,21,25H,10-11,13-15H2,1H3
InChIKeyLFDOJUPTUVDUMF-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731176
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride
CID 120737317
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 120737414
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride
CID 120737193
4,4,4-trifluoro-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120736228
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 120735492
cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 120738005
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120735563

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one (CID 120737060) is 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one is CC(c1ccccc1)N1CC(C(=O)N2CCNCC2c2cccc(F)c2)CC1=O.
What is the InChIKey of 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is LFDOJUPTUVDUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16(17-6-3-2-4-7-17)27-15-19(13-22(27)28)23(29)26-11-10-25-14-21(26)18-8-5-9-20(24)12-18/h2-9,12,16,19,21,25H,10-11,13-15H2,1H3.
What are the key properties of 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 395.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 120737060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).