tert-Butyl 2-oxopiperidine-1-carboxylate

C10H17NO3CAS 85908-96-9199.25 g/mol

Open in Covalent MOL file
OONO
AmideCarbamateLactam

Properties

Molecular formula
C10H17NO3
Molar mass
199.25 g/mol
Exact mass
199.1208 Da
Melting point
30–33 °C
Boiling point
110 °C (at 0.1 Torr)
logP
1.93Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501

Identifiers

CAS number
85908-96-9
SMILES
CC(C)(C)OC(=O)N1CCCCC1=O
InChIKey
ULMHMJAEGZPQRY-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4-7H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Piperidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
  • 2-Oxopiperidine-1-carboxylic acid tert-butyl ester
  • 1,1-Dimethylethyl 2-oxopiperidine-1-carboxylate
  • N-tert-Butoxycarbonyl-2-piperidinone
  • 6-Oxopiperidine-1-carboxylic acid tert-butyl ester
  • N-Boc-2-piperidone
  • N-Boc-δ-valerolactam
  • 1-(tert-Butoxycarbonyl)-2-piperidone
  • 1-N-tert-Butoxycarbonyl-2-piperidone

Work with tert-Butyl 2-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

1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-690 % similar tert-Butyl 2,4-dioxopiperidine-1-carboxylate845267-78-962 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-958 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-856 % similar 1-Boc-pyrrolidine-2,4-dione182352-59-653 % similar Acetylcaprolactam1888-91-149 % similar N-Boc-hexahydro-1H-azepin-4-one188975-88-448 % similar 1-Boc-4-methylenepiperidine159635-49-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl (R)-3-formylpyrrolidine-1-carboxylate191347-94-1 (S)-tert-Butyl 3-formylpyrrolidine-1-carboxylate191348-04-6 (+-)-1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxaldehyde59379-02-1 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-9 N-(tert-Butoxycarbonyl)-D-prolinal73365-02-3 tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-3 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-9 1-Boc-3-piperidone98977-36-7

Elsewhere

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