chempirical

tert-Butyl 2,4-dioxopiperidine-1-carboxylate

C10H15NO4CAS 845267-78-9213.23 g/mol

Open in Covalent MOL file
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AmideCarbamateKetoneLactam

Properties

Molecular formula
C10H15NO4
Molar mass
213.23 g/mol
Exact mass
213.1001 Da
logP
1.11Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
0 / 4
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
845267-78-9
SMILES
CC(C)(C)OC(=O)N1CCC(=O)CC1=O
InChIKey
SLCAHLSQXDNQSF-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-4-7(12)6-8(11)13/h4-6H2,1-3H3

Weigh it out

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

Work with tert-Butyl 2,4-dioxopiperidine-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

1-Boc-pyrrolidine-2,4-dione182352-59-671 % similar 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-664 % similar tert-Butyl 2-oxopiperidine-1-carboxylate85908-96-962 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-358 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-755 % similar N-Boc-hexahydro-1H-azepin-4-one188975-88-453 % similar tert-Butyl 2,2-dimethyl-4-oxopiperidine-1-carboxylate346593-03-151 % similar tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-449 % similar

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

Same formula

3-Cyano-1,1-propanedicarboxylic acid diethyl ester17216-62-5 Boc-3,4-dehydro-pro-oh51154-06-4 (R)-N-Boc-propargylglycine63039-46-3

Elsewhere

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