1-Boc-3-oxopiperazine

C9H16N2O3CAS 76003-29-7200.24 g/mol

Open in Covalent MOL file
OONNHO
AmideCarbamateLactam

Properties

Molecular formula
C9H16N2O3
Molar mass
200.24 g/mol
Exact mass
200.1161 Da
logP
0.35Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
76003-29-7
SMILES
CC(C)(C)OC(=O)N1CCNC(=O)C1
InChIKey
FCMLWBBLOASUSO-UHFFFAOYSA-N
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)

Weigh it out

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Names and synonyms

1 names
  • tert-Butyl 3-oxopiperazine-1-carboxylate

Work with 1-Boc-3-oxopiperazine

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

5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester190900-21-175 % similar tert-Butyl piperazine-1-carboxylate57260-71-663 % similar tert-Butyl 1,4-diazepane-1-carboxylate112275-50-056 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-755 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-954 % similar N-Boc-3-methylene-piperidine276872-89-054 % similar tert-Butyl 4,7-diazaspiro(2.5)octane-7-carboxylate886766-28-554 % similar 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-tert-Butyl 1-methyl-2-oxoimidazolidine-4-carboxylate143996-78-5 (αS)-Tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic acid192725-50-1

Elsewhere

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