Benzyl 3-oxopiperidine-1-carboxylate

C₁₃H₁₅NO₃CAS 61995-20-8233.27 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₃H₁₅NO₃
Molar mass: 233.27 g/mol
Exact mass: 233.1052 Da
logP: 1.99Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

61995-20-8

SMILES

O=C1CCCN(C(=O)OCc2ccccc2)C1

InChIKey

ALXLNFWWLXCXSK-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO3/c15-12-7-4-8-14(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2

Weigh it out

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

Names and synonyms

7 names

1-Piperidinecarboxylic acid, 3-oxo-, phenylmethyl ester
1-Benzyloxycarbonyl-3-piperidone
1-Benzyloxycarbonyl-3-piperidinone
N-(Carbobenzyloxy)-3-piperidone
Phenylmethyl 3-oxo-1-piperidinecarboxylate
1-N-Cbz-3-piperidone
1-Cbz-3-piperidinone

Work with Benzyl 3-oxopiperidine-1-carboxylate

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

Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-683 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-962 % similar 1-Cbz-4-methylene-piperidine138163-12-961 % similar Benzyl 3-oxopiperazine-1-carboxylate78818-15-259 % similar Benzyl piperazine-1-carboxylate31166-44-659 % similar Benzyl 3-pyrroline-1-carboxylate31970-04-457 % similar (R)-3-Amino-1-N-cbz-piperidine1044560-96-457 % similar Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-357 % similar

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

Same formula

(4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-8 (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-5 Mecarbinate15574-49-9 3-(Cyclopentyloxy)-4-methoxyphenyl isocyanate185300-51-0 Benzyl 4-oxo-1-piperidinecarboxylate19099-93-5 3-Formyl-pyrrolidine-1-carboxylicacidbenzylester276872-86-7 N-Boc-5-hydroxyindole434958-85-7 Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate51535-00-3

Elsewhere

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