chempirical

1-Boc-3-piperidone

C10H17NO3CAS 98977-36-7199.25 g/mol

Open in Covalent MOL file
OONO
CarbamateKetone

Properties

Molecular formula
C10H17NO3
Molar mass
199.25 g/mol
Exact mass
199.1208 Da
logP
1.59Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

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
98977-36-7
SMILES
CC(C)(C)OC(=O)N1CCCC(=O)C1
InChIKey
RIFXIGDBUBXKEI-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-7H2,1-3H3

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Names and synonyms

1 names
  • tert-Butyl 3-oxopiperidine-1-carboxylate

Work with 1-Boc-3-piperidone

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

3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-781 % similar N-Boc-hexahydro-1H-azepin-4-one188975-88-476 % similar 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-469 % similar N-Boc-3-methylene-piperidine276872-89-068 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-966 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-864 % similar tert-Butyl 3-methylidenepyrrolidine-1-carboxylate114214-71-058 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-456 % 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 tert-Butyl 2-oxopiperidine-1-carboxylate85908-96-9 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-9

Elsewhere

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