1,4-diethylpiperazine-2,3,5,6-tetrone

C8H10N2O4 — CID 4133016

IUPAC1,4-diethylpiperazine-2,3,5,6-tetrone
SMILESCCN1C(=O)C(=O)N(CC)C(=O)C1=O
InChIInChI=1S/C8H10N2O4/c1-3-9-5(11)7(13)10(4-2)8(14)6(9)12/h3-4H2,1-2H3
InChIKeyFTRHOIAYKKVQRT-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.25
Rot. Bonds2

About 1,4-diethylpiperazine-2,3,5,6-tetrone

1,4-diethylpiperazine-2,3,5,6-tetrone (PubChem CID 4133016) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1,4-diethylpiperazine-2,3,5,6-tetrone.

Molecular Properties

Compound Name1,4-diethylpiperazine-2,3,5,6-tetrone
PubChem CID4133016
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1,4-diethylpiperazine-2,3,5,6-tetrone
SMILESCCN1C(=O)C(=O)N(CC)C(=O)C1=O
InChIInChI=1S/C8H10N2O4/c1-3-9-5(11)7(13)10(4-2)8(14)6(9)12/h3-4H2,1-2H3
InChIKeyFTRHOIAYKKVQRT-UHFFFAOYSA-N
XLogP-1.25
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,4-diethylpiperazine-2,3,5,6-tetrone 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-2,3,5,6-tetrone?
The IUPAC name of 1,4-diethylpiperazine-2,3,5,6-tetrone (CID 4133016) is 1,4-diethylpiperazine-2,3,5,6-tetrone.
What is the SMILES notation for 1,4-diethylpiperazine-2,3,5,6-tetrone?
The canonical SMILES for 1,4-diethylpiperazine-2,3,5,6-tetrone is CCN1C(=O)C(=O)N(CC)C(=O)C1=O.
What is the InChIKey of 1,4-diethylpiperazine-2,3,5,6-tetrone?
The InChIKey is FTRHOIAYKKVQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-9-5(11)7(13)10(4-2)8(14)6(9)12/h3-4H2,1-2H3.
What are the key properties of 1,4-diethylpiperazine-2,3,5,6-tetrone?
1,4-diethylpiperazine-2,3,5,6-tetrone has a molecular weight of 198.18 g/mol, XLogP of -1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpiperazine-2,3,5,6-tetrone is sourced from PubChem (CID 4133016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).