chempirical

Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride

C15H20ClNO3CAS 52763-21-0297.78 g/mol

Open in Covalent MOL file
OONOHCl
EsterKetoneTertiary amine

Properties

Molecular formula
C15H20ClNO3
Molar mass
297.78 g/mol
Exact mass
297.1132 Da
Melting point
162–165 °C
logP
2.06Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
52763-21-0
SMILES
CCOC(=O)C1CCN(Cc2ccccc2)CC1=O.Cl
InChIKey
UQOMEAWPKSISII-UHFFFAOYSA-N
InChI
InChI=1S/C15H19NO3.ClH/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;1H

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Names and synonyms

11 names
  • 4-Piperidinecarboxylic acid, 3-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
  • 4-Piperidinecarboxylic acid, 3-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride
  • 1-Benzyl-4-carbethoxy-3-oxopiperidine hydrochloride
  • Ethyl N-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride
  • N-Benzyl-4-carbethoxy-3-piperidone hydrochloride
  • NSC 117336
  • Ethyl 3-oxo-N-benzylpiperidine-4-carboxylate hydrochloride
  • 1-Benzyl-3-oxopiperidine-4-carboxylic acid ethyl ester hydrochloride
  • 1-Benzyl-3-oxopiperidine-4-carboxylic acid ethyl ester monohydrochloride
  • Ethyl N-benzyl-3-oxo-4-piperidincarboxylate hydrochloride
  • 1-Benzyl-4-(ethoxycarbonyl)-3-oxopiperidin-1-ium chloride

Work with Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride

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

Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-793 % similar Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-674 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-865 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-855 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-853 % similar 1-Benzyl-4-oxo-3-piperidinecarboxylic acid methyl ester monohydrochloride3939-01-353 % similar Phenylalanine ethyl ester hydrochloride3182-93-250 % similar Methyl 1-benzylpiperidine-4-carboxylate10315-06-748 % similar

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

Same formula

N-Boc phenylalanyl chloride102123-74-0 Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-1

Elsewhere

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