chempirical

Cinepazide

C22H31N3O5CAS 23887-46-9417.51 g/mol

Open in Covalent MOL file
OONNONOO
AlkeneAmideEtherTertiary amine

Properties

Molecular formula
C22H31N3O5
Molar mass
417.51 g/mol
Exact mass
417.2264 Da
logP
1.49Crippen estimate
Polar surface area
71.5 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Identifiers

CAS number
23887-46-9
SMILES
COc1cc(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
InChIKey
RCUDFXMNPQNBDU-UHFFFAOYSA-N
InChI
InChI=1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3

Weigh it out

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

Names and synonyms

4 names
  • 2-Propen-1-one, 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-
  • Piperazine, 1-[(1-pyrrolidinylcarbonyl)methyl]-4-(3,4,5-trimethoxycinnamoyl)-
  • Piperazine, 1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-
  • 1-[4-[2-Oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one

Work with Cinepazide

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

Cinepazide maleate26328-04-187 % similar Piperlongumine20069-09-455 % similar (E)-3,4,5-Trimethoxycinnamic acid20329-98-048 % similar 3,4,5-Trimethoxycinnamic acid90-50-648 % similar 5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one7780-20-341 % similar Piperine94-62-241 % similar 2-(1-Piperazinyl)-1-(1-pyrrolidinyl)ethanone39890-45-437 % similar Sinapinic acid530-59-637 % similar

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

Same formula

Cilazapril88768-40-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook