[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C23H24F3NO3 — CID 156536891

IUPAC[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCOC1(c2ccc(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)cc2)COC1
InChIInChI=1S/C23H24F3NO3/c1-29-22(14-30-15-22)19-6-4-18(5-7-19)21(28)27-12-10-17(11-13-27)16-2-8-20(9-3-16)23(24,25)26/h2-9,17H,10-15H2,1H3
InChIKeyWLBWHPAWPHIQAI-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.60
Rot. Bonds4

About [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 156536891) has the molecular formula C23H24F3NO3 and a molecular weight of 419.44 g/mol. Its IUPAC name is [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID156536891
Molecular FormulaC23H24F3NO3
Molecular Weight419.44 g/mol
Exact Mass419.17
IUPAC Name[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCOC1(c2ccc(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)cc2)COC1
InChIInChI=1S/C23H24F3NO3/c1-29-22(14-30-15-22)19-6-4-18(5-7-19)21(28)27-12-10-17(11-13-27)16-2-8-20(9-3-16)23(24,25)26/h2-9,17H,10-15H2,1H3
InChIKeyWLBWHPAWPHIQAI-UHFFFAOYSA-N
XLogP4.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
CID 164533554
[4-[difluoro-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533266
[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 164533591
4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine
CID 156560675
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethylsulfanyl)phenyl]piperidin-1-yl]methanone
CID 156537012
1-[1-[4-[3-(2-ethylsulfanylethoxy)oxetan-3-yl]phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 156800894
1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine
CID 156800921
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
CID 164533483
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
[4-(3-ethoxyoxetan-3-yl)phenyl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 156537882
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(4-fluoropiperidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 143379605

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 156536891) is [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is COC1(c2ccc(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)cc2)COC1.
What is the InChIKey of [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is WLBWHPAWPHIQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO3/c1-29-22(14-30-15-22)19-6-4-18(5-7-19)21(28)27-12-10-17(11-13-27)16-2-8-20(9-3-16)23(24,25)26/h2-9,17H,10-15H2,1H3.
What are the key properties of [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 419.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 156536891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).