Benzyl 3-oxopiperazine-1-carboxylate

C₁₂H₁₄N₂O₃CAS 78818-15-2234.25 g/mol

Open in Covalent MOL file

Amide Carbamate Lactam

Properties

Molecular formula: C₁₂H₁₄N₂O₃
Molar mass: 234.25 g/mol
Exact mass: 234.1004 Da
logP: 0.75Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

78818-15-2

SMILES

C1CN(CC(=O)N1)C(=O)OCC2=CC=CC=C2

InChIKey

BAHFPJFBMJTOPU-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)

Weigh it out

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Work with Benzyl 3-oxopiperazine-1-carboxylate

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

Benzyl piperazine-1-carboxylate31166-44-668 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-963 % similar Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-662 % similar Benzyl 3-oxopiperidine-1-carboxylate61995-20-859 % similar Phenylmethyl (3S)-3-methyl-1-piperazinecarboxylate612493-87-556 % similar Benzyl 4-oxo-1-piperidinecarboxylate19099-93-556 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-556 % similar Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate1001401-60-055 % similar

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

Same formula

5-Methoxy-DL-tryptophan28052-84-8 5-Ethoxy-1-(phenylmethyl)-2,4-imidazolidinedione65855-02-9

Elsewhere

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