chempirical

3-Acetyl-piperidine-1-carboxylic acid tert-butyl ester

C12H21NO3CAS 858643-92-2227.30 g/mol

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ONOO
CarbamateKetone

Properties

Molecular formula
C12H21NO3
Molar mass
227.30 g/mol
Exact mass
227.1521 Da
logP
2.22Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

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
858643-92-2
SMILES
CC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
InChIKey
IIDISJMZFQAYKG-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO3/c1-9(14)10-6-5-7-13(8-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3

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Names and synonyms

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

Work with 3-Acetyl-piperidine-1-carboxylic acid tert-butyl ester

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-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-975 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-368 % similar 1-((tert-Butoxy)carbonyl)piperidine-3-carboxylic acid71381-75-468 % similar 1-Boc-3-piperidinecarboxylic acid84358-12-368 % similar L-1-Boc-nipecotic acid88495-54-968 % similar 3-Carbamoyl-piperidine-1-carboxylic acid tert-butyl ester91419-49-768 % similar Methyl N-boc-piperidine-3-carboxylate148763-41-167 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-364 % similar

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

Same formula

tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate1245816-29-8 tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate143557-91-9 rac-tert-Butyl N-[(1r,4r)-4-formylcyclohexyl]carbamate181308-57-6 1-Boc-4-formyl-4-methyl-piperidine189442-92-0 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-9 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-8 1-(tert-Butoxycarbonyl)-3,3-dimethyl-4-oxopiperidine324769-06-4 tert-Butyl 2,2-dimethyl-4-oxopiperidine-1-carboxylate346593-03-1

Elsewhere

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