3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione

C11H14N4O3 — CID 107973136

IUPAC3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cn(C)cn1
InChIInChI=1S/C11H14N4O3/c1-3-8-10(17)13-9(16)5-15(8)11(18)7-4-14(2)6-12-7/h4,6,8H,3,5H2,1-2H3,(H,13,16,17)
InChIKeyUOXFFIBMCKAWJD-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.70
Rot. Bonds2

About 3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione

3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione (PubChem CID 107973136) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
PubChem CID107973136
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cn(C)cn1
InChIInChI=1S/C11H14N4O3/c1-3-8-10(17)13-9(16)5-15(8)11(18)7-4-14(2)6-12-7/h4,6,8H,3,5H2,1-2H3,(H,13,16,17)
InChIKeyUOXFFIBMCKAWJD-UHFFFAOYSA-N
XLogP-0.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione (CID 107973136) is 3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1cn(C)cn1.
What is the InChIKey of 3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione?
The InChIKey is UOXFFIBMCKAWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-8-10(17)13-9(16)5-15(8)11(18)7-4-14(2)6-12-7/h4,6,8H,3,5H2,1-2H3,(H,13,16,17).
What are the key properties of 3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione?
3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione has a molecular weight of 250.26 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 107973136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).