chempirical

3-Carbethoxy-2-piperidone

C8H13NO3CAS 3731-16-6171.20 g/mol

Open in Covalent MOL file
OONHO
Ester

Properties

Molecular formula
C8H13NO3
Molar mass
171.20 g/mol
Exact mass
171.0895 Da
Melting point
75 °C
Boiling point
205–215 °C (at 12 Torr)
logP
0.92Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
3731-16-6
SMILES
CCOC(=O)C1CCCN=C1O
InChIKey
DUMNOWYWTAYLJN-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

8 names
  • 3-Piperidinecarboxylic acid, 2-oxo-, ethyl ester
  • Nipecotic acid, 2-oxo-, ethyl ester
  • Ethyl 2-oxonipecotate
  • 3-(Ethoxycarbonyl)-2-piperidone
  • Ethyl 2-oxo-3-piperidinecarboxylate
  • NSC 38545
  • 2-Oxopiperidine-3-carboxylic acid ethyl ester
  • Ethyl 2-oxo-piperidine-3-carboxylate

Work with 3-Carbethoxy-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diethyl 2-butylpropanedioate133-08-454 % similar Ethyl 2-oxocyclohexanecarboxylate1655-07-850 % similar Propylmalonic acid diethyl ester2163-48-649 % similar 2-Acetylhexanoic acid ethyl ester1540-29-048 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-147 % similar Diethyl isoamylmalonate5398-08-346 % similar 1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-746 % similar Ethyl cyclobutanecarboxylate14924-53-946 % similar

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

Same formula

Ucb-L 057102849-49-0 Levetiracetam acid103833-72-3 1-Acetyl-4-piperidinecarboxylic acid25503-90-6 1-(Ethoxycarbonyl)-4-piperidone29976-53-2 tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook