3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione

C15H17Cl2N3O2 — CID 660305

IUPAC3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O
InChIInChI=1S/C15H17Cl2N3O2/c1-18-14(21)9-13(15(18)22)20-6-4-19(5-7-20)10-2-3-11(16)12(17)8-10/h2-3,8,13H,4-7,9H2,1H3
InChIKeyOXZXWLKPZHTVLO-UHFFFAOYSA-N
MW342.23 g/mol
LogP1.87
Rot. Bonds2

About 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione

3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione (PubChem CID 660305) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
PubChem CID660305
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O
InChIInChI=1S/C15H17Cl2N3O2/c1-18-14(21)9-13(15(18)22)20-6-4-19(5-7-20)10-2-3-11(16)12(17)8-10/h2-3,8,13H,4-7,9H2,1H3
InChIKeyOXZXWLKPZHTVLO-UHFFFAOYSA-N
XLogP1.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione (CID 660305) is 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O.
What is the InChIKey of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is OXZXWLKPZHTVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-18-14(21)9-13(15(18)22)20-6-4-19(5-7-20)10-2-3-11(16)12(17)8-10/h2-3,8,13H,4-7,9H2,1H3.
What are the key properties of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 342.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 660305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).