1,4-diethylpiperazine-2,3-dione

C8H14N2O2 — CID 20687048

IUPAC1,4-diethylpiperazine-2,3-dione
SMILESCCN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C8H14N2O2/c1-3-9-5-6-10(4-2)8(12)7(9)11/h3-6H2,1-2H3
InChIKeyXSTWGDJGUPLKFJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.30
Rot. Bonds2

About 1,4-diethylpiperazine-2,3-dione

1,4-diethylpiperazine-2,3-dione (PubChem CID 20687048) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,4-diethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1,4-diethylpiperazine-2,3-dione
PubChem CID20687048
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1,4-diethylpiperazine-2,3-dione
SMILESCCN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C8H14N2O2/c1-3-9-5-6-10(4-2)8(12)7(9)11/h3-6H2,1-2H3
InChIKeyXSTWGDJGUPLKFJ-UHFFFAOYSA-N
XLogP-0.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4-diethylpiperazine-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 1,4-diethylpiperazine-2,3-dione?
The IUPAC name of 1,4-diethylpiperazine-2,3-dione (CID 20687048) is 1,4-diethylpiperazine-2,3-dione.
What is the SMILES notation for 1,4-diethylpiperazine-2,3-dione?
The canonical SMILES for 1,4-diethylpiperazine-2,3-dione is CCN1CCN(CC)C(=O)C1=O.
What is the InChIKey of 1,4-diethylpiperazine-2,3-dione?
The InChIKey is XSTWGDJGUPLKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-9-5-6-10(4-2)8(12)7(9)11/h3-6H2,1-2H3.
What are the key properties of 1,4-diethylpiperazine-2,3-dione?
1,4-diethylpiperazine-2,3-dione has a molecular weight of 170.21 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpiperazine-2,3-dione is sourced from PubChem (CID 20687048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).