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

C8H14N4O3 — CID 55027973

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide
SMILESCCN1CCN(CC(=O)NN)C(=O)C1=O
InChIInChI=1S/C8H14N4O3/c1-2-11-3-4-12(5-6(13)10-9)8(15)7(11)14/h2-5,9H2,1H3,(H,10,13)
InChIKeyNCVVJCQEFQRGIV-UHFFFAOYSA-N
MW214.22 g/mol
LogP-2.33
Rot. Bonds3

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

2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide (PubChem CID 55027973) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide
PubChem CID55027973
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide
SMILESCCN1CCN(CC(=O)NN)C(=O)C1=O
InChIInChI=1S/C8H14N4O3/c1-2-11-3-4-12(5-6(13)10-9)8(15)7(11)14/h2-5,9H2,1H3,(H,10,13)
InChIKeyNCVVJCQEFQRGIV-UHFFFAOYSA-N
XLogP-2.33
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-2.33
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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Related Compounds

N,N-Bis(2-hydrazinyl-2-oxoethyl)glycine hydrazide
CID 72719
1-Piperazineacetic acid, 4-methyl-, hydrazide
CID 90566
1,4-Diaminopiperazine-2,3-dione
CID 311847
2-(Piperazin-1-yl)acetohydrazide
CID 45099474
2-[Acetamido(acetyl)amino]acetamide
CID 139182098
2,2,2-trifluoro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]acetamide
CID 84426461
N1-isobutyl-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45585733
1-(Methylamino)piperazin-2-one
CID 17825448
2-N-ethylethanedihydrazide
CID 18522885
N-(4-acetylpiperazin-1-yl)acetamide
CID 18683344
N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide
CID 19863739
2-hydrazinyl-N-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 20242942

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide (CID 55027973) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide is CCN1CCN(CC(=O)NN)C(=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide?
The InChIKey is NCVVJCQEFQRGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-2-11-3-4-12(5-6(13)10-9)8(15)7(11)14/h2-5,9H2,1H3,(H,10,13).
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide has a molecular weight of 214.22 g/mol, XLogP of -2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetohydrazide is sourced from PubChem (CID 55027973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).