3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide

C11H20N4O3 — CID 79630790

IUPAC3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCCN1CCN(CC(C)(C)C(=O)NN)C(=O)C1=O
InChIInChI=1S/C11H20N4O3/c1-4-14-5-6-15(9(17)8(14)16)7-11(2,3)10(18)13-12/h4-7,12H2,1-3H3,(H,13,18)
InChIKeyKYHUJGBJMBELIV-UHFFFAOYSA-N
MW256.31 g/mol
LogP-1.31
Rot. Bonds4

About 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide

3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 79630790) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID79630790
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCCN1CCN(CC(C)(C)C(=O)NN)C(=O)C1=O
InChIInChI=1S/C11H20N4O3/c1-4-14-5-6-15(9(17)8(14)16)7-11(2,3)10(18)13-12/h4-7,12H2,1-3H3,(H,13,18)
InChIKeyKYHUJGBJMBELIV-UHFFFAOYSA-N
XLogP-1.31
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide (CID 79630790) is 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide is CCN1CCN(CC(C)(C)C(=O)NN)C(=O)C1=O.
What is the InChIKey of 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is KYHUJGBJMBELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-4-14-5-6-15(9(17)8(14)16)7-11(2,3)10(18)13-12/h4-7,12H2,1-3H3,(H,13,18).
What are the key properties of 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide?
3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 256.31 g/mol, XLogP of -1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79630790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).