chempirical

Pimavanserin

C25H34FN3O2CAS 706779-91-1427.56 g/mol

Open in Covalent MOL file
OHNONFN
Aryl halideEtherTertiary amine

Properties

Molecular formula
C25H34FN3O2
Molar mass
427.56 g/mol
Exact mass
427.2635 Da
logP
4.87Crippen estimate
Polar surface area
48.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Identifiers

CAS number
706779-91-1
SMILES
CC(C)COc1ccc(CN=C(O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
InChIKey
RKEWSXXUOLRFBX-UHFFFAOYSA-N
InChI
InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)

Weigh it out

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

Names and synonyms

6 names
  • Urea, N-[(4-fluorophenyl)methyl]-N-(1-methyl-4-piperidinyl)-N′-[[4-(2-methylpropoxy)phenyl]methyl]-
  • N-[(4-Fluorophenyl)methyl]-N-(1-methyl-4-piperidinyl)-N′-[[4-(2-methylpropoxy)phenyl]methyl]urea
  • N-(4-Fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-[[4-(2-methylpropyloxy)phenyl]methyl]carbamide
  • Nuplazid
  • 1-[(4-Fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
  • 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methylpiperidin-4-yl)urea

Work with Pimavanserin

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

Pimavanserin tartrate706782-28-784 % similar N-Methylparoxetine110429-36-233 % similar Itopride122898-67-331 % similar Pencycuron66063-05-631 % similar 4-Fluorophenoxyacetic acid405-79-831 % similar Itopride hydrochloride122892-31-330 % similar Trimethobenzamide hydrochloride554-92-730 % similar

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

Elsewhere

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