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

C21H21Cl2N3O2 — CID 93235132

IUPAC(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H21Cl2N3O2/c22-16-6-7-18(17(23)12-16)26-20(27)13-19(21(26)28)25-10-8-24(9-11-25)14-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2/t19-/m1/s1
InChIKeyBPFWNHXBXCTAQZ-LJQANCHMSA-N
MW418.32 g/mol
LogP3.44
Rot. Bonds4

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

(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 93235132) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is (3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID93235132
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H21Cl2N3O2/c22-16-6-7-18(17(23)12-16)26-20(27)13-19(21(26)28)25-10-8-24(9-11-25)14-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2/t19-/m1/s1
InChIKeyBPFWNHXBXCTAQZ-LJQANCHMSA-N
XLogP3.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 53.44
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-(2,4-dichlorophenyl)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

(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 1080528
3-(4-benzylpiperazin-1-yl)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 3109148
(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 682977
(3S)-3-(4-benzylpiperazin-1-yl)-1-(2-bromo-4-methylphenyl)pyrrolidine-2,5-dione
CID 51621006
(3R)-1-(3-chlorophenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1255850
(3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261342
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575
(3S)-1-(3-chlorophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 9357816
(3S)-1-(4-chlorophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 9357851
(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione
CID 29101420
1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 27805301
(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235147

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione (CID 93235132) is (3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is BPFWNHXBXCTAQZ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c22-16-6-7-18(17(23)12-16)26-20(27)13-19(21(26)28)25-10-8-24(9-11-25)14-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2/t19-/m1/s1.
What are the key properties of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 418.32 g/mol, XLogP of 3.44, 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-(2,4-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 93235132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).