Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate

C15H19NO3CAS 39514-19-7261.32 g/mol

Open in Covalent MOL file
OONO
EsterKetoneTertiary amine

Properties

Molecular formula
C15H19NO3
Molar mass
261.32 g/mol
Exact mass
261.1365 Da
logP
1.64Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
39514-19-7
SMILES
CCOC(=O)C1CCN(Cc2ccccc2)CC1=O
InChIKey
JYFGIESQUYQLGM-UHFFFAOYSA-N
InChI
InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3

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Names and synonyms

6 names
  • 4-Piperidinecarboxylic acid, 3-oxo-1-(phenylmethyl)-, ethyl ester
  • Ethyl N-benzyl-3-ketopiperidine-4-carboxylate
  • Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate
  • Ethyl N-benzyl-3-oxopiperidine-4-carboxylate
  • 1-Benzyl-3-oxopiperidine-4-carboxylic acid ethyl ester
  • 1-Benzyl-4-ethoxycarbonylpiperidin-3-one

Work with Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-0Salt

Similar compounds

Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-680 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-869 % similar Ethyl 1-benzylpyrrolidine-3-carboxylate5747-92-266 % similar Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-165 % similar Ethyl 1-benzylpiperidine-3-carboxylate72551-53-260 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-859 % similar Ethyl 1,4-dibenzylpiperazine-2-carboxylate72351-59-857 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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