5-(3-aminophenyl)piperazin-2-one

C10H13N3O — CID 172593542

IUPAC5-(3-aminophenyl)piperazin-2-one
SMILESNc1cccc(C2CNC(=O)CN2)c1
InChIInChI=1S/C10H13N3O/c11-8-3-1-2-7(4-8)9-5-13-10(14)6-12-9/h1-4,9,12H,5-6,11H2,(H,13,14)
InChIKeyPTKRSXBJQFXOFY-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.03
Rot. Bonds1

About 5-(3-aminophenyl)piperazin-2-one

5-(3-aminophenyl)piperazin-2-one (PubChem CID 172593542) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(3-aminophenyl)piperazin-2-one.

Molecular Properties

Compound Name5-(3-aminophenyl)piperazin-2-one
PubChem CID172593542
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-(3-aminophenyl)piperazin-2-one
SMILESNc1cccc(C2CNC(=O)CN2)c1
InChIInChI=1S/C10H13N3O/c11-8-3-1-2-7(4-8)9-5-13-10(14)6-12-9/h1-4,9,12H,5-6,11H2,(H,13,14)
InChIKeyPTKRSXBJQFXOFY-UHFFFAOYSA-N
XLogP0.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-aminophenyl)piperazin-2-one 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 5-(3-aminophenyl)piperazin-2-one?
The IUPAC name of 5-(3-aminophenyl)piperazin-2-one (CID 172593542) is 5-(3-aminophenyl)piperazin-2-one.
What is the SMILES notation for 5-(3-aminophenyl)piperazin-2-one?
The canonical SMILES for 5-(3-aminophenyl)piperazin-2-one is Nc1cccc(C2CNC(=O)CN2)c1.
What is the InChIKey of 5-(3-aminophenyl)piperazin-2-one?
The InChIKey is PTKRSXBJQFXOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-8-3-1-2-7(4-8)9-5-13-10(14)6-12-9/h1-4,9,12H,5-6,11H2,(H,13,14).
What are the key properties of 5-(3-aminophenyl)piperazin-2-one?
5-(3-aminophenyl)piperazin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)piperazin-2-one is sourced from PubChem (CID 172593542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).