1-Benzoyl-4-piperidone

C12H13NO2CAS 24686-78-0203.24 g/mol

Open in Covalent MOL file
ONO
AmideKetone

Properties

Molecular formula
C12H13NO2
Molar mass
203.24 g/mol
Exact mass
203.0946 Da
Melting point
49–52 °C
Boiling point
158–160 °C (at 0.2 Torr)
logP
1.49Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
24686-78-0
SMILES
O=C1CCN(C(=O)c2ccccc2)CC1
InChIKey
NZAXGZYPZGEVBD-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-5H,6-9H2

Weigh it out

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

Names and synonyms

6 names
  • 4-Piperidinone, 1-benzoyl-
  • 4-Piperidone, 1-benzoyl-
  • 1-Benzoyl-4-piperidinone
  • N-Benzoyl-4-piperidone
  • 1-Benzoyl-4-oxopiperidine
  • NSC 97564

Work with 1-Benzoyl-4-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

N-Benzoyl-4-perhydroazepinone15923-40-787 % similar Benzoylpiperidine776-75-067 % similar 1-Benzoylpiperazine13754-38-663 % similar Benzyl 4-oxo-1-piperidinecarboxylate19099-93-558 % similar Benzoylpiperazine hydrochloride56227-55-557 % similar N,N-Diethylbenzamide1696-17-956 % similar 1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-356 % similar 1-Benzyl-4-piperidone3612-20-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol103788-65-4 Indole-3-butyric acid133-32-4 N-Butylphthalimide1515-72-6 Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-3 Benzyl 3-pyrroline-1-carboxylate31970-04-4 Ethyl 1H-indole-3-acetate778-82-5 DAMC87-01-4 N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide88611-67-0

Elsewhere

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