2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone

C17H20F3NO2 — CID 176516168

IUPAC2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC=Cc1cc(CC(=O)N2CCCCC2C(F)(F)F)ccc1OC
InChIInChI=1S/C17H20F3NO2/c1-3-13-10-12(7-8-14(13)23-2)11-16(22)21-9-5-4-6-15(21)17(18,19)20/h3,7-8,10,15H,1,4-6,9,11H2,2H3
InChIKeyFYDZFMVBOZSUHF-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.82
Rot. Bonds4

About 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone

2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 176516168) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID176516168
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC=Cc1cc(CC(=O)N2CCCCC2C(F)(F)F)ccc1OC
InChIInChI=1S/C17H20F3NO2/c1-3-13-10-12(7-8-14(13)23-2)11-16(22)21-9-5-4-6-15(21)17(18,19)20/h3,7-8,10,15H,1,4-6,9,11H2,2H3
InChIKeyFYDZFMVBOZSUHF-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone 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

N-cyclopentyl-2-(3-ethenyl-4-methoxyphenyl)acetamide
CID 176516153
2-(4-bromo-3-chlorophenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
CID 176516015
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
tert-butyl N-[1-[2-(3-ethenyl-4-methoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 176516177
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 119434544
(2S)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137100
2-(4-methoxy-3-methylphenyl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46981954
2-(3-fluoro-4-methoxyphenyl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 98761453
2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
CID 91815998
2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 70676957
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 34737061

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone (CID 176516168) is 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone is C=Cc1cc(CC(=O)N2CCCCC2C(F)(F)F)ccc1OC.
What is the InChIKey of 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is FYDZFMVBOZSUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c1-3-13-10-12(7-8-14(13)23-2)11-16(22)21-9-5-4-6-15(21)17(18,19)20/h3,7-8,10,15H,1,4-6,9,11H2,2H3.
What are the key properties of 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 327.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-4-methoxyphenyl)-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 176516168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).