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

C24H26F3NO3 — CID 164533554

IUPAC[3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
SMILESCOC1(c2cccc(C(=O)N3CCC(Cc4ccc(C(F)(F)F)cc4)CC3)c2)COC1
InChIInChI=1S/C24H26F3NO3/c1-30-23(15-31-16-23)21-4-2-3-19(14-21)22(29)28-11-9-18(10-12-28)13-17-5-7-20(8-6-17)24(25,26)27/h2-8,14,18H,9-13,15-16H2,1H3
InChIKeyZUCHLBHPWMXLKV-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.67
Rot. Bonds5

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

[3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone (PubChem CID 164533554) has the molecular formula C24H26F3NO3 and a molecular weight of 433.47 g/mol. Its IUPAC name is [3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
PubChem CID164533554
Molecular FormulaC24H26F3NO3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name[3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
SMILESCOC1(c2cccc(C(=O)N3CCC(Cc4ccc(C(F)(F)F)cc4)CC3)c2)COC1
InChIInChI=1S/C24H26F3NO3/c1-30-23(15-31-16-23)21-4-2-3-19(14-21)22(29)28-11-9-18(10-12-28)13-17-5-7-20(8-6-17)24(25,26)27/h2-8,14,18H,9-13,15-16H2,1H3
InChIKeyZUCHLBHPWMXLKV-UHFFFAOYSA-N
XLogP4.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 156536891
[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 164533591
(2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
CID 24720417
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164898776
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
methyl 3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzoate
CID 55760139
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-[difluoro-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533266
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
3-[3-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzoic acid
CID 120691977
N-[2-sulfanyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 151271555

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone (CID 164533554) is [3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone is COC1(c2cccc(C(=O)N3CCC(Cc4ccc(C(F)(F)F)cc4)CC3)c2)COC1.
What is the InChIKey of [3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The InChIKey is ZUCHLBHPWMXLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3NO3/c1-30-23(15-31-16-23)21-4-2-3-19(14-21)22(29)28-11-9-18(10-12-28)13-17-5-7-20(8-6-17)24(25,26)27/h2-8,14,18H,9-13,15-16H2,1H3.
What are the key properties of [3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
[3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone has a molecular weight of 433.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 164533554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).