chempirical

5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one

C17H19NO3CAS 7780-20-3285.34 g/mol

Open in Covalent MOL file
OOON
AcetalAlkeneAmideEther

Properties

Molecular formula
C17H19NO3
Molar mass
285.34 g/mol
Exact mass
285.1365 Da
Melting point
129 °C
logP
3.00Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
7780-20-3
SMILES
O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1
InChIKey
MXXWOMGUGJBKIW-UHFFFAOYSA-N
InChI
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2

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Names and synonyms

4 names
  • Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-
  • 2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-
  • Piperidine, 1-piperoyl-
  • NSC 242267

Work with 5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one

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′,4′-Methylenedioxycinnamic acid2373-80-053 % similar Heliotropyl acetone3160-37-050 % similar Piperlonguminine5950-12-946 % similar Isosafrole120-58-144 % similar Tetrahydropiperine23434-88-044 % similar Piperonal120-57-042 % similar 5-(2-Nitroethenyl)-1,3-benzodioxole1485-00-341 % similar Cinepazide23887-46-941 % similar

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

Same formula

Rel-(4ar,8ar)-4A,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro[3A,3,2-ef][2]benzazepin-6-one1668-86-6 Narwedine510-77-0 N-(2,5-Diethoxyphenyl)benzamide92-22-8 Piperine94-62-2

Elsewhere

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