chempirical

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

C15H20ClNO3CAS 1454-53-1297.78 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
175 °C (decomposes)
logP
2.06Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
1454-53-1
SMILES
CCOC(=O)C1CN(Cc2ccccc2)CCC1=O.Cl
InChIKey
YPFMNHZRNXPYBG-UHFFFAOYSA-N
InChI
InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(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

8 names
  • 3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
  • Nipecotic acid, 1-benzyl-4-oxo-, ethyl ester, hydrochloride
  • 3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride
  • 1-Benzyl-3-(ethoxycarbonyl)-4-piperidone hydrochloride
  • N-Benzyl-3-carbethoxy-4-piperidone hydrochloride
  • NSC 15156
  • 1-Benzyl-4-oxopiperidine-3-carboxylic acid ethyl ester hydrochloride
  • 1-Benzyl-3-carbethoxy-4-piperidone hydrochloride

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

1-Benzyl-4-oxo-3-piperidinecarboxylic acid methyl ester monohydrochloride3939-01-377 % similar Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-673 % similar Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-765 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-857 % similar 1-Benzyl-3-methylpiperidin-4-one34737-89-854 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-852 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-851 % similar Phenylalanine ethyl ester hydrochloride3182-93-249 % similar

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

Same formula

N-Boc phenylalanyl chloride102123-74-0 Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-0

Elsewhere

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