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Molecule record

1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone

C24H27FN2O4

426.49 g/mol

Loading structure

Molecular properties

Formula
C24H27FN2O4
Molar mass
426.49 g·mol−1
Exact mass
426.1955 Da
12
PubChem CID
71360

Functional groups

Alkane / alkyl carbon
Aromatic ring
Aryl halide
Ether
Ketone
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]ethanone
  • 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(trideuteriomethoxy)phenyl]ethanone
  • 133454-47-4
  • 4'-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenone
  • C24H27FN2O4
  • CHEBI:65173
  • CHEMBL14376
  • DTXCID7028986
Show all 24 synonyms
  • DTXSID6049060
  • Ethanone, 1-(4-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxyphenyl)-
  • Fanapt
  • Fanapta
  • HP 873
  • Iloperidone
  • Iloperidone (Fanapt)
  • Iloperidone-d3
  • MFCD00866688
  • N05AX14
  • RefChem:55393
  • VPO7KJ050N
  • Zomaril
  • iloperidona
  • iloperidonum
  • s1483

Structure identifiers

Canonical SMILES
COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
Isomeric SMILES
CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC
InChI
InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
InChIKey
XMXHEBAFVSFQEX-UHFFFAOYSA-N
PubChem CID
71360

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record