3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione

C21H22FN3O2 — CID 2853128

IUPAC3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O2/c22-17-6-8-18(9-7-17)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,19H,10-15H2
InChIKeySUNYYXXWHRRHFG-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.28
Rot. Bonds4

About 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione

3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 2853128) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID2853128
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O2/c22-17-6-8-18(9-7-17)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,19H,10-15H2
InChIKeySUNYYXXWHRRHFG-UHFFFAOYSA-N
XLogP2.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 2853128) is 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is SUNYYXXWHRRHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-17-6-8-18(9-7-17)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,19H,10-15H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 367.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2853128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).