1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione

C23H26FN3O2 — CID 46196479

IUPAC1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(C2CC(=O)N(CCN3CCN(c4ccccc4F)CC3)C2=O)c1
InChIInChI=1S/C23H26FN3O2/c1-17-5-4-6-18(15-17)19-16-22(28)27(23(19)29)14-11-25-9-12-26(13-10-25)21-8-3-2-7-20(21)24/h2-8,15,19H,9-14,16H2,1H3
InChIKeyVIDUVCRAJQLYQM-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione

1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 46196479) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID46196479
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(C2CC(=O)N(CCN3CCN(c4ccccc4F)CC3)C2=O)c1
InChIInChI=1S/C23H26FN3O2/c1-17-5-4-6-18(15-17)19-16-22(28)27(23(19)29)14-11-25-9-12-26(13-10-25)21-8-3-2-7-20(21)24/h2-8,15,19H,9-14,16H2,1H3
InChIKeyVIDUVCRAJQLYQM-UHFFFAOYSA-N
XLogP2.80
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione 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

3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 46854841
(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1130382
3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42631193
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(3-methylphenyl)acetamide
CID 42224298
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42631196
3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42631197
(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 98108371
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 47005605
ethyl 1-[(2,3-difluorophenyl)methyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854070
(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 1022289
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione (CID 46196479) is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1cccc(C2CC(=O)N(CCN3CCN(c4ccccc4F)CC3)C2=O)c1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is VIDUVCRAJQLYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-17-5-4-6-18(15-17)19-16-22(28)27(23(19)29)14-11-25-9-12-26(13-10-25)21-8-3-2-7-20(21)24/h2-8,15,19H,9-14,16H2,1H3.
What are the key properties of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione?
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 395.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 46196479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).