Piperazine-2,6-dione

C₄H₆N₂O₂CAS 4774-22-5114.10 g/mol

Open in Covalent MOL file

Amide Lactam Secondary amine

Properties

Molecular formula: C₄H₆N₂O₂
Molar mass: 114.10 g/mol
Exact mass: 114.0429 Da
logP: -1.77Crippen estimate
Polar surface area: 58.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4774-22-5

SMILES

C1C(=O)NC(=O)CN1

InChIKey

CYJAWBVQRMVFEO-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2O2/c7-3-1-5-2-4(8)6-3/h5H,1-2H2,(H,6,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Piperazine-2,6-dione

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

Iminodiacetic acid142-73-438 % similar Azetidin-3-one Hydrochloride17557-84-538 % similar 1,4-Diazepan-5-one34376-54-033 % similar 4-(2-Methylpropyl)piperidine-2,6-dione916982-10-033 % similar Disodium iminodiacetate928-72-333 % similar Sodium thiobarbiturate31645-12-231 % similar Diethyl iminodiacetate6290-05-731 % similar 3-Pyrrolidinone96-42-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,5-Diketopiperazine106-57-0 Piperazine-2,3-dione13092-86-9 Dihydrouracil504-07-4 5-Methylhydantoin616-03-5 1-Methylhydantoin616-04-6 Ethyl diazoacetate623-73-4 Fumaramide627-64-5

Elsewhere

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