tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate

C₁₁H₁₆N₂O₃CAS 914988-10-6224.26 g/mol

Open in Covalent MOL file

Carbamate Ketone Nitrile

Properties

Molecular formula: C₁₁H₁₆N₂O₃
Molar mass: 224.26 g/mol
Exact mass: 224.1161 Da
logP: 1.34Crippen estimate
Polar surface area: 70.4 Å²
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

914988-10-6

SMILES

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

InChIKey

VPFTZTMJPFIRAN-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8H,4-5,7H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester

Work with tert-Butyl 3-cyano-4-oxopiperidine-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

tert-Butyl 3-cyano-4-oxo-1-pyrrolidine carboxylate175463-32-876 % similar tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate181269-69-263 % similar (R)-1-Boc-3-cyanopyrrolidine132945-76-761 % similar (S)-1-Boc-3-cyanopyrrolidine132945-78-961 % similar 3-Bromo-4-oxo-piperidine-1-carboxylic acid tert-butyl ester188869-05-861 % similar 1,1-Dimethylethyl 3-fluoro-4-oxo-1-piperidinecarboxylate211108-50-861 % similar 1-Boc-3-cyanopyrrolidine476493-40-061 % similar 1-Boc-3-cyanoazetidine142253-54-160 % similar

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

Same formula

tert-Butyl [5-(hydroxymethyl)pyridin-2-yl)carbamate169280-83-5 3,4-Diethoxybenzohydrazide380482-31-5 2-Amino-4-(1,1-dimethylpropyl)-6-nitrophenol83488-02-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook