[4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

C25H28F3NO6 — CID 164533322

IUPAC[4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESCOCCOc1cc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc1C1(O)COC1
InChIInChI=1S/C25H28F3NO6/c1-32-12-13-34-22-14-17(2-7-21(22)24(31)15-33-16-24)23(30)29-10-8-20(9-11-29)35-19-5-3-18(4-6-19)25(26,27)28/h2-7,14,20,31H,8-13,15-16H2,1H3
InChIKeySPUJRGFUOKGLOZ-UHFFFAOYSA-N
MW495.49 g/mol
LogP3.63
Rot. Bonds8

About [4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

[4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 164533322) has the molecular formula C25H28F3NO6 and a molecular weight of 495.49 g/mol. Its IUPAC name is [4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
PubChem CID164533322
Molecular FormulaC25H28F3NO6
Molecular Weight495.49 g/mol
Exact Mass495.19
IUPAC Name[4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESCOCCOc1cc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc1C1(O)COC1
InChIInChI=1S/C25H28F3NO6/c1-32-12-13-34-22-14-17(2-7-21(22)24(31)15-33-16-24)23(30)29-10-8-20(9-11-29)35-19-5-3-18(4-6-19)25(26,27)28/h2-7,14,20,31H,8-13,15-16H2,1H3
InChIKeySPUJRGFUOKGLOZ-UHFFFAOYSA-N
XLogP3.63
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(3-hydroxyoxetan-3-yl)-3,5-dimethylphenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533320
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
[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
N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 164533355
[3-chloro-4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533293
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]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone
CID 164533331
[4-[difluoro-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533266
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710373
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
CID 164533483

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of [4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (CID 164533322) is [4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for [4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is COCCOc1cc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc1C1(O)COC1.
What is the InChIKey of [4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is SPUJRGFUOKGLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3NO6/c1-32-12-13-34-22-14-17(2-7-21(22)24(31)15-33-16-24)23(30)29-10-8-20(9-11-29)35-19-5-3-18(4-6-19)25(26,27)28/h2-7,14,20,31H,8-13,15-16H2,1H3.
What are the key properties of [4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
[4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 495.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 164533322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).