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

C21H22ClN3O2 — CID 1080528

IUPAC(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C21H22ClN3O2/c22-17-8-4-5-9-18(17)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2/t19-/m1/s1
InChIKeyVFQZKLFWSXNIKG-LJQANCHMSA-N
MW383.88 g/mol
LogP2.79
Rot. Bonds4

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

(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 1080528) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID1080528
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C21H22ClN3O2/c22-17-8-4-5-9-18(17)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2/t19-/m1/s1
InChIKeyVFQZKLFWSXNIKG-LJQANCHMSA-N
XLogP2.79
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-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

Related Compounds

2-Chlorofentanyl
CID 12741858
1-(2-Fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 2867506
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
1-Benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
1-(3-Methylphenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 2832588
3-(4-Benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 2833553
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 2839645
1-(4-Fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]pyrrolidine-2,5-dione
CID 2839888
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2839911
3-[4-(2-Chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2877411
1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)pyrrolidine-2,5-dione
CID 4056093
1-[4-(2-oxopyrrolidin-1-yl)benzyl]-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 5293528

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione (CID 1080528) is (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is VFQZKLFWSXNIKG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-17-8-4-5-9-18(17)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2/t19-/m1/s1.
What are the key properties of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 383.88 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1080528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).