chempirical

Methyl 4-oxo-3-piperidinecarboxylate hydrochloride

C7H12ClNO3CAS 71486-53-8193.63 g/mol

Open in Covalent MOL file
OONHOHCl
EsterKetoneSecondary amine

Properties

Molecular formula
C7H12ClNO3
Molar mass
193.63 g/mol
Exact mass
193.0506 Da
logP
-0.24Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
71486-53-8
SMILES
COC(=O)C1CNCCC1=O.Cl
InChIKey
NMAACQILAGCQPR-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;1H

Weigh it out

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

Names and synonyms

4 names
  • 3-Piperidinecarboxylic acid, 4-oxo-, methyl ester, hydrochloride (1:1)
  • 3-Piperidinecarboxylic acid, 4-oxo-, methyl ester, hydrochloride
  • 3-(Methoxycarbonyl)-4-piperidone hydrochloride
  • 3-Methoxycarbonyl-4-oxopiperidinium chloride

Work with Methyl 4-oxo-3-piperidinecarboxylate 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 4-piperidone-3-carboxylate hydrochloride4644-61-568 % similar Methyl azetidine-3-carboxylate hydrochloride100202-39-953 % similar Methyl 2-oxocyclopentanecarboxylate10472-24-951 % similar Methyl 2-cyclohexanonecarboxylate41302-34-550 % similar Methyl isonipecotate hydrochloride7462-86-450 % similar Dimethyl succinylsuccinate6289-46-949 % similar Methyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate4160-61-648 % similar 3-Fluoropiperidin-4-one hydrochloride1070896-59-147 % similar

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

Same formula

N-(2-Chloroacetyl)-L-valine2279-16-5 N-(2-Chloroacetyl)valine4090-17-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook