1-piperazin-1-ylindole-2,3-dione

C12H13N3O2 — CID 22714251

IUPAC1-piperazin-1-ylindole-2,3-dione
SMILESO=C1C(=O)N(N2CCNCC2)c2ccccc21
InChIInChI=1S/C12H13N3O2/c16-11-9-3-1-2-4-10(9)15(12(11)17)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChIKeyCRPSAMCQBCIJSV-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.04
Rot. Bonds1

About 1-piperazin-1-ylindole-2,3-dione

1-piperazin-1-ylindole-2,3-dione (PubChem CID 22714251) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-piperazin-1-ylindole-2,3-dione.

Molecular Properties

Compound Name1-piperazin-1-ylindole-2,3-dione
PubChem CID22714251
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-piperazin-1-ylindole-2,3-dione
SMILESO=C1C(=O)N(N2CCNCC2)c2ccccc21
InChIInChI=1S/C12H13N3O2/c16-11-9-3-1-2-4-10(9)15(12(11)17)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChIKeyCRPSAMCQBCIJSV-UHFFFAOYSA-N
XLogP0.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-piperazin-1-ylindole-2,3-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 1-piperazin-1-ylindole-2,3-dione?
The IUPAC name of 1-piperazin-1-ylindole-2,3-dione (CID 22714251) is 1-piperazin-1-ylindole-2,3-dione.
What is the SMILES notation for 1-piperazin-1-ylindole-2,3-dione?
The canonical SMILES for 1-piperazin-1-ylindole-2,3-dione is O=C1C(=O)N(N2CCNCC2)c2ccccc21.
What is the InChIKey of 1-piperazin-1-ylindole-2,3-dione?
The InChIKey is CRPSAMCQBCIJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-11-9-3-1-2-4-10(9)15(12(11)17)14-7-5-13-6-8-14/h1-4,13H,5-8H2.
What are the key properties of 1-piperazin-1-ylindole-2,3-dione?
1-piperazin-1-ylindole-2,3-dione has a molecular weight of 231.25 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylindole-2,3-dione is sourced from PubChem (CID 22714251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).