chempirical

4-Oxo-piperidine-3-carboxylic acid ethyl ester

C8H13NO3CAS 67848-59-3171.20 g/mol

Open in Covalent MOL file
OONHO
EsterKetoneSecondary amine

Properties

Molecular formula
C8H13NO3
Molar mass
171.20 g/mol
Exact mass
171.0895 Da
logP
-0.27Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
67848-59-3
SMILES
CCOC(=O)C1CNCCC1=O
InChIKey
RIOSMHYBRAQVHD-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO3/c1-2-12-8(11)6-5-9-4-3-7(6)10/h6,9H,2-5H2,1H3

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Work with 4-Oxo-piperidine-3-carboxylic acid ethyl ester

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 4-piperidone-3-carboxylate hydrochloride4644-61-5Salt

Similar compounds

Methyl 4-oxo-3-piperidinecarboxylate hydrochloride71486-53-861 % similar Ethyl 2-oxocyclopentanecarboxylate611-10-958 % similar Ethyl 2-oxocyclohexanecarboxylate1655-07-857 % similar Diethyl succinylsuccinate787-07-556 % similar Ethyl morpholine-2-carboxylate107904-06-351 % similar (-)-Ethyl nipecotate25137-01-351 % similar (+)-Ethyl nipecotate37675-18-651 % similar Ethyl nipecotate5006-62-251 % similar

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

Same formula

(αS)-α-Ethyl-2-oxo-1-pyrrolidineacetic acid102849-49-0 Levetiracetam acid103833-72-3 1-Acetyl-4-piperidinecarboxylic acid25503-90-6 1-(Ethoxycarbonyl)-4-piperidone29976-53-2 3-Carbethoxy-2-piperidone3731-16-6 tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-4 N-Butyryl-L-homoserine lactone67605-85-0

Elsewhere

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