chempirical

1-Acetyl-4-piperidone

C7H11NO2CAS 32161-06-1141.17 g/mol

Open in Covalent MOL file
ONO
AmideKetone

Properties

Molecular formula
C7H11NO2
Molar mass
141.17 g/mol
Exact mass
141.0790 Da
Density
1.14 g/mL
Boiling point
218 °C
logP
0.20Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
32161-06-1
SMILES
CC(=O)N1CCC(=O)CC1
InChIKey
NNFOVLFUGLWWCL-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 4-Piperidinone, 1-acetyl-
  • 4-Piperidone, 1-acetyl-
  • 1-Acetyl-4-piperidinone
  • 1-Acetyl-4-oxopiperidine
  • N-Acetyl-4-piperidinone
  • N-Acetyl-4-piperidone

Work with 1-Acetyl-4-piperidone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Acetylpyrrolidine4030-18-661 % similar 1-Acetylpiperidine618-42-858 % similar 1-Acetylpiperazine13889-98-054 % similar N-Acetylmorpholine1696-20-454 % similar 1-Methyl-4-piperidone1445-73-448 % similar N,N-Diethylacetamide685-91-648 % similar Tetraacetylethylenediamine10543-57-446 % similar 1-(Ethoxycarbonyl)-4-piperidone29976-53-245 % similar

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

Same formula

tert-Butyl cyanoacetate1116-98-9 4,4-Dimethyl-2,6-piperidinedione1123-40-6 5,5-Dimethylpiperidine-2,4-dione118263-81-3 2-Methylpropyl 2-cyanoacetate13361-31-4 Ethyl 2-cyano-2-methylpropionate1572-98-1 Arecaidine499-04-7 Acryloylmorpholine5117-12-4 Butyl cyanoacetate5459-58-5

Elsewhere

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