2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide

C8H12N4O4 — CID 66067870

IUPAC2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)C(=O)NN
InChIInChI=1S/C8H12N4O4/c1-8(2)7(16)10-4(13)3-12(8)6(15)5(14)11-9/h3,9H2,1-2H3,(H,11,14)(H,10,13,16)
InChIKeyYIADCUWDDYLHFA-UHFFFAOYSA-N
MW228.21 g/mol
LogP-2.76
Rot. Bonds

About 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide

2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide (PubChem CID 66067870) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide
PubChem CID66067870
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)C(=O)NN
InChIInChI=1S/C8H12N4O4/c1-8(2)7(16)10-4(13)3-12(8)6(15)5(14)11-9/h3,9H2,1-2H3,(H,11,14)(H,10,13,16)
InChIKeyYIADCUWDDYLHFA-UHFFFAOYSA-N
XLogP-2.76
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-2.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetate
CID 112617395
4-[2-(azetidin-3-ylidene)propanoyl]-3,3-dimethylpiperazine-2,6-dione
CID 116678286
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66074634
4-[2-(1,4-diazepan-1-yl)-2-oxoacetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66067869
3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione
CID 66074354
2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 113463021
N-amino-N'-cyclohexyl-2,2-dimethyl-3,5-dioxopiperazine-1-carboximidamide
CID 104887058
4-but-2-ynoyl-3,3-dimethylpiperazine-2,6-dione
CID 107989921
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 79810820
4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073778
4-(4-amino-3,5-dichlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 82813797
2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid
CID 66067482

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide?
The IUPAC name of 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide (CID 66067870) is 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide.
What is the SMILES notation for 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide?
The canonical SMILES for 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide is CC1(C)C(=O)NC(=O)CN1C(=O)C(=O)NN.
What is the InChIKey of 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide?
The InChIKey is YIADCUWDDYLHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-8(2)7(16)10-4(13)3-12(8)6(15)5(14)11-9/h3,9H2,1-2H3,(H,11,14)(H,10,13,16).
What are the key properties of 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide?
2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide has a molecular weight of 228.21 g/mol, XLogP of -2.76, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide is sourced from PubChem (CID 66067870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).