4-(4-amino-2-chlorophenyl)piperazine-2,6-dione

C10H10ClN3O2 — CID 66083498

IUPAC4-(4-amino-2-chlorophenyl)piperazine-2,6-dione
SMILESNc1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1
InChIInChI=1S/C10H10ClN3O2/c11-7-3-6(12)1-2-8(7)14-4-9(15)13-10(16)5-14/h1-3H,4-5,12H2,(H,13,15,16)
InChIKeySZXQBQPLEMEQEW-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.38
Rot. Bonds1

About 4-(4-amino-2-chlorophenyl)piperazine-2,6-dione

4-(4-amino-2-chlorophenyl)piperazine-2,6-dione (PubChem CID 66083498) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-(4-amino-2-chlorophenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-2-chlorophenyl)piperazine-2,6-dione
PubChem CID66083498
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name4-(4-amino-2-chlorophenyl)piperazine-2,6-dione
SMILESNc1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1
InChIInChI=1S/C10H10ClN3O2/c11-7-3-6(12)1-2-8(7)14-4-9(15)13-10(16)5-14/h1-3H,4-5,12H2,(H,13,15,16)
InChIKeySZXQBQPLEMEQEW-UHFFFAOYSA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4-amino-2-chlorophenyl)piperazine-2,6-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 4-(4-amino-2-chlorophenyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-amino-2-chlorophenyl)piperazine-2,6-dione (CID 66083498) is 4-(4-amino-2-chlorophenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-2-chlorophenyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-2-chlorophenyl)piperazine-2,6-dione is Nc1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1.
What is the InChIKey of 4-(4-amino-2-chlorophenyl)piperazine-2,6-dione?
The InChIKey is SZXQBQPLEMEQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-3-6(12)1-2-8(7)14-4-9(15)13-10(16)5-14/h1-3H,4-5,12H2,(H,13,15,16).
What are the key properties of 4-(4-amino-2-chlorophenyl)piperazine-2,6-dione?
4-(4-amino-2-chlorophenyl)piperazine-2,6-dione has a molecular weight of 239.66 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-chlorophenyl)piperazine-2,6-dione is sourced from PubChem (CID 66083498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).