chempirical

Ethyl 4-piperidone-3-carboxylate hydrochloride

C8H14ClNO3CAS 4644-61-5207.65 g/mol

Open in Covalent MOL file
OONHOHCl
EsterKetoneSecondary amine

Properties

Molecular formula
C8H14ClNO3
Molar mass
207.65 g/mol
Exact mass
207.0662 Da
Melting point
168–169 °C (decomposes)
logP
0.15Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
4644-61-5
SMILES
CCOC(=O)C1CNCCC1=O.Cl
InChIKey
RTYXWLMQWSFXNI-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO3.ClH/c1-2-12-8(11)6-5-9-4-3-7(6)10;/h6,9H,2-5H2,1H3;1H

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

Names and synonyms

9 names
  • 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)
  • Nipecotic acid, 4-oxo-, ethyl ester, hydrochloride
  • 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride
  • 3-Ethoxycarbonyl-4-piperidinone hydrochloride
  • 3-Ethoxycarbonyl-4-piperidone hydrochloride
  • Ethyl 4-oxo-3-piperidinecarboxylate hydrochloride
  • 4-Oxo-3-piperidinecarboxylic acid ethyl ester hydrochloride
  • 3-(Ethoxycarbonyl)-4-oxopiperidinium chloride
  • NSC 74467

Work with Ethyl 4-piperidone-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

Methyl 4-oxo-3-piperidinecarboxylate hydrochloride71486-53-868 % similar Ethyl 2-oxocyclohexanecarboxylate1655-07-853 % similar Diethyl succinylsuccinate787-07-551 % similar (-)-Ethyl nipecotate25137-01-348 % similar (+)-Ethyl nipecotate37675-18-648 % similar Ethyl nipecotate5006-62-248 % similar Ethyl nipecotate71962-74-848 % similar H-D-Pro-oet hcl131477-20-847 % similar

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

Same formula

N-(2-Chloroacetyl)-L-leucine688-12-0

Elsewhere

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