[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone

C24H22F3NO5 — CID 164533331

IUPAC[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(C2(O)COC2)cc1)N1CCC(Oc2cc3ccc(C(F)(F)F)cc3o2)CC1
InChIInChI=1S/C24H22F3NO5/c25-24(26,27)18-6-3-16-11-21(33-20(16)12-18)32-19-7-9-28(10-8-19)22(29)15-1-4-17(5-2-15)23(30)13-31-14-23/h1-6,11-12,19,30H,7-10,13-14H2
InChIKeyYHLBAEMCQCGMBJ-UHFFFAOYSA-N
MW461.44 g/mol
LogP4.35
Rot. Bonds4

About [4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone

[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone (PubChem CID 164533331) has the molecular formula C24H22F3NO5 and a molecular weight of 461.44 g/mol. Its IUPAC name is [4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone
PubChem CID164533331
Molecular FormulaC24H22F3NO5
Molecular Weight461.44 g/mol
Exact Mass461.15
IUPAC Name[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(C2(O)COC2)cc1)N1CCC(Oc2cc3ccc(C(F)(F)F)cc3o2)CC1
InChIInChI=1S/C24H22F3NO5/c25-24(26,27)18-6-3-16-11-21(33-20(16)12-18)32-19-7-9-28(10-8-19)22(29)15-1-4-17(5-2-15)23(30)13-31-14-23/h1-6,11-12,19,30H,7-10,13-14H2
InChIKeyYHLBAEMCQCGMBJ-UHFFFAOYSA-N
XLogP4.35
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[difluoro-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533266
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
CID 164533483
[4-(3-hydroxyoxetan-3-yl)phenyl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533378
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 167117214
[4-(3-hydroxyoxetan-3-yl)-3,5-dimethylphenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533320
[3-chloro-4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533293
[4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533322
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 164533318
4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide
CID 164533270
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]methanone
CID 164533430
[4-(3-hydroxyoxetan-3-yl)phenyl]-[6-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
CID 156537893
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone?
The IUPAC name of [4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone (CID 164533331) is [4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for [4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone is O=C(c1ccc(C2(O)COC2)cc1)N1CCC(Oc2cc3ccc(C(F)(F)F)cc3o2)CC1.
What is the InChIKey of [4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone?
The InChIKey is YHLBAEMCQCGMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO5/c25-24(26,27)18-6-3-16-11-21(33-20(16)12-18)32-19-7-9-28(10-8-19)22(29)15-1-4-17(5-2-15)23(30)13-31-14-23/h1-6,11-12,19,30H,7-10,13-14H2.
What are the key properties of [4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone?
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone has a molecular weight of 461.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 164533331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).