3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one

C24H28FN3O2 — CID 91926037

IUPAC3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCc1ccc(C(=O)N2CCN(C3CCN(CCc4ccccc4)C3=O)CC2)cc1F
InChIInChI=1S/C24H28FN3O2/c1-18-7-8-20(17-21(18)25)23(29)28-15-13-26(14-16-28)22-10-12-27(24(22)30)11-9-19-5-3-2-4-6-19/h2-8,17,22H,9-16H2,1H3
InChIKeyLWFKEXGEONOCFL-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.74
Rot. Bonds5

About 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one

3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 91926037) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID91926037
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCc1ccc(C(=O)N2CCN(C3CCN(CCc4ccccc4)C3=O)CC2)cc1F
InChIInChI=1S/C24H28FN3O2/c1-18-7-8-20(17-21(18)25)23(29)28-15-13-26(14-16-28)22-10-12-27(24(22)30)11-9-19-5-3-2-4-6-19/h2-8,17,22H,9-16H2,1H3
InChIKeyLWFKEXGEONOCFL-UHFFFAOYSA-N
XLogP2.74
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-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

2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
N,N'-dibenzoylpiperazine
CID 80185
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
Dpi-221
CID 9891642
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
Teijin-lead_cmp_5
CID 44353447
3-(4-Benzoylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 2877352
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
N,N-diethyl-4-[phenyl-[(1R,5S)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
CID 10093250

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one (CID 91926037) is 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one is Cc1ccc(C(=O)N2CCN(C3CCN(CCc4ccccc4)C3=O)CC2)cc1F.
What is the InChIKey of 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is LWFKEXGEONOCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-18-7-8-20(17-21(18)25)23(29)28-15-13-26(14-16-28)22-10-12-27(24(22)30)11-9-19-5-3-2-4-6-19/h2-8,17,22H,9-16H2,1H3.
What are the key properties of 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 409.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 91926037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).