1,4-Diacetyl-2,5-piperazinedione

C8H10N2O4CAS 3027-05-2198.18 g/mol

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ONONOO
AmideLactam

Properties

Molecular formula
C8H10N2O4
Molar mass
198.18 g/mol
Exact mass
198.0641 Da
logP
-1.25Crippen estimate
Polar surface area
74.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
3027-05-2
SMILES
CC(=O)N1CC(=O)N(CC1=O)C(=O)C
InChIKey
CBBKKVPJPRZOCM-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O4/c1-5(11)9-3-8(14)10(6(2)12)4-7(9)13/h3-4H2,1-2H3

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Names and synonyms

1 names
  • N,N'-Diacetylglycine anhydride

Work with 1,4-Diacetyl-2,5-piperazinedione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetraacetylethylenediamine10543-57-460 % similar 1-Acetyl-2-pyrrolidone932-17-252 % similar Acetylcaprolactam1888-91-148 % similar N-Acetylpyrrolidine4030-18-642 % similar N,N-Diethylacetamide685-91-642 % similar N-Methyldiacetamide1113-68-441 % similar Dimethylacetamide127-19-541 % similar 3-Acetyl-1-chlorocarbonyl-2-imidazolidone41730-71-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Mimosine500-44-7 2-Propyl-1H-imidazole-4,5-dicarboxylic acid58954-23-7 2,5-Dimethoxy-4-nitrobenzenamine6313-37-7 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-6

Elsewhere

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