chempirical

Piperlongumine

C17H19NO5CAS 20069-09-4317.34 g/mol

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OONOOO
AlkeneAmideEtherLactam

Properties

Molecular formula
C17H19NO5
Molar mass
317.34 g/mol
Exact mass
317.1263 Da
Melting point
124 °C
logP
2.04Crippen estimate
Polar surface area
65.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
20069-09-4
SMILES
COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC
InChIKey
VABYUUZNAVQNPG-BQYQJAHWSA-N
InChI
InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+

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

Names and synonyms

7 names
  • 2(1H)-Pyridinone, 5,6-dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-
  • 2(1H)-Pyridone, 5,6-dihydro-1-(3,4,5-trimethoxycinnamoyl)-
  • 2(1H)-Pyridinone, 5,6-dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-, (E)-
  • 2(1H)-Pyridinone, 5,6-dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-
  • 5,6-Dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-2(1H)-pyridinone
  • Piplartine
  • Piplartin

Work with Piperlongumine

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

Cinepazide23887-46-955 % similar (E)-3,4,5-Trimethoxycinnamic acid20329-98-052 % similar 3,4,5-Trimethoxycinnamic acid90-50-652 % similar Cinepazide maleate26328-04-148 % similar Sinapinic acid530-59-639 % similar Combretastatin A-4117048-59-637 % similar 3,4-Dimethoxycinnamic acid14737-89-437 % similar 3′,4′-Dimethoxycinnamic acid2316-26-937 % similar

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

Elsewhere

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