Fipexide

C20H21ClN2O4CAS 34161-24-5388.85 g/mol

Open in Covalent MOL file
OOClNNOO
AcetalAmideAryl halideEtherTertiary amine

Properties

Molecular formula
C20H21ClN2O4
Molar mass
388.85 g/mol
Exact mass
388.1190 Da
logP
2.79Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
34161-24-5
SMILES
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIKey
BFUJHVVEMMWLHC-UHFFFAOYSA-N
InChI
InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2

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Names and synonyms

6 names
  • Ethanone, 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-chlorophenoxy)-
  • Piperazine, 1-[(p-chlorophenoxy)acetyl]-4-piperonyl-
  • Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenoxy)acetyl]-
  • 1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-chlorophenoxy)ethanone
  • p-Chlorophenoxyacetylpiperonylpiperazide
  • 1-(2-[4-Chlorophenoxy]acetyl)-4-(3,4-methylenedioxybenzyl)piperazine

Work with Fipexide

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-Piperonylpiperazine32231-06-449 % similar Tetrahydropiperine23434-88-045 % similar Piribedil3605-01-443 % similar 4-Chlorophenoxyacetic acid122-88-340 % similar 5-Chloro-1,3-benzodioxole7228-38-840 % similar Piperonyl chloride20850-43-538 % similar 1-(4-Chlorobenzyl)piperazine23145-88-237 % similar 1,3-Benzodioxole-5-acetic acid2861-28-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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