2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide

C8H14N4O3 — CID 66069169

IUPAC2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide
SMILESCCC1C(=O)NC(=O)CN1CC(=O)NN
InChIInChI=1S/C8H14N4O3/c1-2-5-8(15)10-6(13)3-12(5)4-7(14)11-9/h5H,2-4,9H2,1H3,(H,11,14)(H,10,13,15)
InChIKeyLFFPLWJQAHVRQK-UHFFFAOYSA-N
MW214.22 g/mol
LogP-2.29
Rot. Bonds3

About 2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide

2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide (PubChem CID 66069169) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide
PubChem CID66069169
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide
SMILESCCC1C(=O)NC(=O)CN1CC(=O)NN
InChIInChI=1S/C8H14N4O3/c1-2-5-8(15)10-6(13)3-12(5)4-7(14)11-9/h5H,2-4,9H2,1H3,(H,11,14)(H,10,13,15)
InChIKeyLFFPLWJQAHVRQK-UHFFFAOYSA-N
XLogP-2.29
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-2.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-ethylpiperazine-2,6-dione
CID 66070089
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetonitrile
CID 66067150
2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
CID 66068741
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione
CID 80613286
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,2-dimethylbutanethioamide
CID 66069276
5-(2-ethyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 63602786
4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione
CID 66069154
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 66069151
prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate
CID 66069309
N-amino-N'-cyclopentyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide
CID 104887109

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide?
The IUPAC name of 2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide (CID 66069169) is 2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide?
The canonical SMILES for 2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide is CCC1C(=O)NC(=O)CN1CC(=O)NN.
What is the InChIKey of 2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide?
The InChIKey is LFFPLWJQAHVRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-2-5-8(15)10-6(13)3-12(5)4-7(14)11-9/h5H,2-4,9H2,1H3,(H,11,14)(H,10,13,15).
What are the key properties of 2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide?
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide has a molecular weight of 214.22 g/mol, XLogP of -2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide is sourced from PubChem (CID 66069169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).