1-(4-ethylpiperazin-1-yl)propane-1,2-dione

C9H16N2O2 — CID 82125370

IUPAC1-(4-ethylpiperazin-1-yl)propane-1,2-dione
SMILESCCN1CCN(C(=O)C(C)=O)CC1
InChIInChI=1S/C9H16N2O2/c1-3-10-4-6-11(7-5-10)9(13)8(2)12/h3-7H2,1-2H3
InChIKeyMPIHVGRIVZVVSC-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.26
Rot. Bonds2

About 1-(4-ethylpiperazin-1-yl)propane-1,2-dione

1-(4-ethylpiperazin-1-yl)propane-1,2-dione (PubChem CID 82125370) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)propane-1,2-dione.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)propane-1,2-dione
PubChem CID82125370
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(4-ethylpiperazin-1-yl)propane-1,2-dione
SMILESCCN1CCN(C(=O)C(C)=O)CC1
InChIInChI=1S/C9H16N2O2/c1-3-10-4-6-11(7-5-10)9(13)8(2)12/h3-7H2,1-2H3
InChIKeyMPIHVGRIVZVVSC-UHFFFAOYSA-N
XLogP-0.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-ethylpiperazin-1-yl)propane-1,2-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-ethylpiperazin-1-yl)propane-1,2-dione?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)propane-1,2-dione (CID 82125370) is 1-(4-ethylpiperazin-1-yl)propane-1,2-dione.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)propane-1,2-dione?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)propane-1,2-dione is CCN1CCN(C(=O)C(C)=O)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)propane-1,2-dione?
The InChIKey is MPIHVGRIVZVVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-10-4-6-11(7-5-10)9(13)8(2)12/h3-7H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)propane-1,2-dione?
1-(4-ethylpiperazin-1-yl)propane-1,2-dione has a molecular weight of 184.24 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)propane-1,2-dione is sourced from PubChem (CID 82125370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).