1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate

C₁₂H₁₉NO₅CAS 161491-24-3257.29 g/mol

Open in Covalent MOL file

Carbamate Ester Ketone

Properties

Molecular formula: C₁₂H₁₉NO₅
Molar mass: 257.29 g/mol
Exact mass: 257.1263 Da
logP: 0.99Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1

Identifiers

CAS number

161491-24-3

SMILES

CC(C)(C)OC(=O)N1CCC(=O)C(C1)C(=O)OC

InChIKey

HBWUTYLVFYVXML-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-5-9(14)8(7-13)10(15)17-4/h8H,5-7H2,1-4H3

Weigh it out

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Work with 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate

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-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate98977-34-573 % similar 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-762 % similar Methyl N-boc-piperidine-3-carboxylate148763-41-161 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-460 % similar 1,1-Dimethylethyl 3-fluoro-4-oxo-1-piperidinecarboxylate211108-50-860 % similar 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate129799-08-258 % similar 1-(1,1-Dimethylethyl) 3-methyl (3S)-1,3-piperazinedicarboxylate314741-39-458 % similar 1-(1,1-Dimethylethyl) 3-methyl (3R)-1,3-piperazinedicarboxylate438631-77-758 % similar

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

Same formula

1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate144978-12-1 1-Boc-D-pyroglutamic acid ethyl ester144978-35-8 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-pyrrolidinedicarboxylate146256-98-6

Elsewhere

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