3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione

C22H23ClN2O2 — CID 2851208

IUPAC3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2/c23-18-6-8-19(9-7-18)25-21(26)15-20(22(25)27)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-9,17,20H,10-15H2
InChIKeyGJKTULAZDMNZQC-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.93
Rot. Bonds4

About 3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione

3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 2851208) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID2851208
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2/c23-18-6-8-19(9-7-18)25-21(26)15-20(22(25)27)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-9,17,20H,10-15H2
InChIKeyGJKTULAZDMNZQC-UHFFFAOYSA-N
XLogP3.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)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-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione (CID 2851208) is 3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione is O=C1CC(N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is GJKTULAZDMNZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-18-6-8-19(9-7-18)25-21(26)15-20(22(25)27)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-9,17,20H,10-15H2.
What are the key properties of 3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 382.89 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2851208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).