[4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C24H25F4NO3 — CID 156537882

IUPAC[4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCCOC1(c2ccc(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)cc2)COC1
InChIInChI=1S/C24H25F4NO3/c1-2-32-23(14-31-15-23)18-8-6-17(7-9-18)22(30)29-12-10-16(11-13-29)19-4-3-5-20(25)21(19)24(26,27)28/h3-9,16H,2,10-15H2,1H3
InChIKeySAMBZAKBAJIDAN-UHFFFAOYSA-N
MW451.46 g/mol
LogP5.13
Rot. Bonds5

About [4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

[4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 156537882) has the molecular formula C24H25F4NO3 and a molecular weight of 451.46 g/mol. Its IUPAC name is [4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID156537882
Molecular FormulaC24H25F4NO3
Molecular Weight451.46 g/mol
Exact Mass451.18
IUPAC Name[4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCCOC1(c2ccc(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)cc2)COC1
InChIInChI=1S/C24H25F4NO3/c1-2-32-23(14-31-15-23)18-8-6-17(7-9-18)22(30)29-12-10-16(11-13-29)19-4-3-5-20(25)21(19)24(26,27)28/h3-9,16H,2,10-15H2,1H3
InChIKeySAMBZAKBAJIDAN-UHFFFAOYSA-N
XLogP5.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 156536891
[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 118483340
[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 164533591
[4-[difluoro-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533266
1-[1-[4-[3-(2-ethylsulfanylethoxy)oxetan-3-yl]phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 156800894
[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methylsulfanyl-3,7,8-triazabicyclo[4.3.1]dec-8-en-9-yl)methanone
CID 144955055
[3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
CID 164533554
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethylsulfanyl)phenyl]piperidin-1-yl]methanone
CID 156537012
[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-phenylmethanone
CID 167702571
[4-(2-methylphenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 138034460
ethyl 1-[4-(3-hydroxyoxetan-3-yl)benzoyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 164533340
(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]diazenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 98342656

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 156537882) is [4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is CCOC1(c2ccc(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)cc2)COC1.
What is the InChIKey of [4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is SAMBZAKBAJIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4NO3/c1-2-32-23(14-31-15-23)18-8-6-17(7-9-18)22(30)29-12-10-16(11-13-29)19-4-3-5-20(25)21(19)24(26,27)28/h3-9,16H,2,10-15H2,1H3.
What are the key properties of [4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
[4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 451.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 156537882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).