1-(Ethoxycarbonyl)-4-piperidone

C8H13NO3CAS 29976-53-2171.20 g/mol

Open in Covalent MOL file
OONO
CarbamateKetone

Properties

Molecular formula
C8H13NO3
Molar mass
171.20 g/mol
Exact mass
171.0895 Da
Boiling point
93–94 °C (at 1 Torr)
logP
0.81Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
29976-53-2
SMILES
CCOC(=O)N1CCC(=O)CC1
InChIKey
LUBGFMZTGFXIIN-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3

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Names and synonyms

15 names · show all
  • 1-Piperidinecarboxylic acid, 4-oxo-, ethyl ester
  • Ethyl 4-oxo-1-piperidinecarboxylate
  • 1-Carbethoxy-4-piperidone
  • 1-Ethoxycarbonyl-4-oxopiperidine
  • 4-Oxo-1-piperidinecarboxylic acid ethyl ester
  • 1-Ethoxycarbonyl-4-piperidinone
  • N-Ethoxycarbonyl-4-piperidinone
  • N-(Ethoxycarbonyl)-4-piperidone
  • 1-(Carboethoxy)-4-piperidone
  • NSC 139022
  • N-Carboethoxy-4-piperidone
  • 1-(Carboethoxy)-4-piperidinone
  • N-Carbethoxy-4-piperidone
  • N-Carbethoxy-4-piperidinone
  • 1-Carbethoxypiperidin-4-one

Work with 1-(Ethoxycarbonyl)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-N-Ethoxycarbonyl-3-pyrrolidone14891-10-279 % similar Ethyl 1-piperazinecarboxylate120-43-461 % similar Ethyl 4-amino-1-piperidinecarboxylate58859-46-456 % similar Ethyl 4-hydroxypiperidine-1-carboxylate65214-82-656 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-355 % similar 4-(2-Hydroxyethyl)-piperazin-1-carboxylic acid ethyl ester14000-66-954 % similar Ethyl 4-(methylamino)-1-piperidinecarboxylate73733-69-453 % similar 1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid118133-15-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(αS)-α-Ethyl-2-oxo-1-pyrrolidineacetic acid102849-49-0 Levetiracetam acid103833-72-3 1-Acetylpiperidine-4-carboxylic acid25503-90-6 3-Carbethoxy-2-piperidone3731-16-6 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-4 N-Butyryl-L-homoserine lactone67605-85-0 4-Oxo-piperidine-3-carboxylic acid ethyl ester67848-59-3

Elsewhere

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