Methyl 4-oxopiperidine-3-carboxylate hydrochloride

C₇H₁₂ClNO₃CAS 71486-53-8193.63 g/mol

Open in Covalent MOL file

Ester Ketone Secondary 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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

5 names

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

Work with Methyl 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

Ethyl 4-piperidone-3-carboxylate hydrochloride4644-61-568 % similar 4-Oxo-piperidine-3-carboxylic acid ethyl ester67848-59-361 % similar Methyl 3-pyrrolidinecarboxylate hcl198959-37-455 % similar (R)-Methyl pyrrolidine-3-carboxylate hydrochloride874964-22-455 % similar Methyl azetidine-3-carboxylate hydrochloride100202-39-953 % similar (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-653 % similar Methyl 2-oxocyclopentanecarboxylate10472-24-951 % similar 3-Methylpiperidin-4-one hydrochloride4629-78-151 % similar

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

Same formula

(2S)-1-Acetamido-3-chloropropan-2-yl acetate183905-31-9 N-(2-Chloroacetyl)-L-valine2279-16-5 N-(2-Chloroacetyl)valine4090-17-9

Elsewhere

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