chempirical

1-(4-Benzoyl-1-piperazinyl)-1-propanone

C14H18N2O2CAS 314728-85-3246.31 g/mol

Open in Covalent MOL file
ONNO
Amide

Properties

Molecular formula
C14H18N2O2
Molar mass
246.31 g/mol
Exact mass
246.1368 Da
logP
1.38Crippen estimate
Polar surface area
40.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
314728-85-3
SMILES
CCC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIKey
DGOWDUFJCINDGI-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2O2/c1-2-13(17)15-8-10-16(11-9-15)14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3

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Names and synonyms

4 names
  • 1-Propanone, 1-(4-benzoyl-1-piperazinyl)-
  • Piperazine, 1-benzoyl-4-(1-oxopropyl)-
  • DM 235
  • Sunifiram

Work with 1-(4-Benzoyl-1-piperazinyl)-1-propanone

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-Benzoyl-4-piperidone24686-78-056 % similar 1-Benzoyl-4-piperidinecarboxylic acid5274-99-748 % similar (4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-843 % similar (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-543 % similar 2-Benzoyl-1,2,3,6,7,11B-hexahydro-4H-pyrazino[2,1-A]isoquinolin-4-one54761-87-442 % similar (4S)-3-(1-Oxopropyl)-4-phenyl-2-oxazolidinone184363-66-441 % similar 1-Phenyl-2-butanone1007-32-539 % similar 2-Phenethyl propionate122-70-339 % similar

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

Same formula

(+)-Hypaphorine487-58-1 Nefiracetam77191-36-7

Elsewhere

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