3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione

C12H18N4O2 — CID 64881155

IUPAC3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CCCn2ccnc2)C1=O
InChIInChI=1S/C12H18N4O2/c1-2-10-12(18)16(8-11(17)14-10)6-3-5-15-7-4-13-9-15/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,17)
InChIKeyGAXDDNXDIQWYGB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.01
Rot. Bonds5

About 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione

3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione (PubChem CID 64881155) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
PubChem CID64881155
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CCCn2ccnc2)C1=O
InChIInChI=1S/C12H18N4O2/c1-2-10-12(18)16(8-11(17)14-10)6-3-5-15-7-4-13-9-15/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,17)
InChIKeyGAXDDNXDIQWYGB-UHFFFAOYSA-N
XLogP0.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-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 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione (CID 64881155) is 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione is CCC1NC(=O)CN(CCCn2ccnc2)C1=O.
What is the InChIKey of 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione?
The InChIKey is GAXDDNXDIQWYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-10-12(18)16(8-11(17)14-10)6-3-5-15-7-4-13-9-15/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,17).
What are the key properties of 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione?
3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64881155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).