2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone

C16H22FNO3 — CID 61216852

IUPAC2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCOC1CCN(CC(=O)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C16H22FNO3/c1-3-21-13-6-8-18(9-7-13)11-15(19)14-10-12(17)4-5-16(14)20-2/h4-5,10,13H,3,6-9,11H2,1-2H3
InChIKeyPXOYKQWSYFQLTG-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.52
Rot. Bonds6

About 2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone

2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 61216852) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID61216852
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCOC1CCN(CC(=O)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C16H22FNO3/c1-3-21-13-6-8-18(9-7-13)11-15(19)14-10-12(17)4-5-16(14)20-2/h4-5,10,13H,3,6-9,11H2,1-2H3
InChIKeyPXOYKQWSYFQLTG-UHFFFAOYSA-N
XLogP2.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143
1-(5-fluoro-2-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62051168
1-(5-fluoro-2-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626411
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 63609080
2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227111
2-(2-ethylpiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227563
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83043920
4-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366237
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 61216852) is 2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone is CCOC1CCN(CC(=O)c2cc(F)ccc2OC)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is PXOYKQWSYFQLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-3-21-13-6-8-18(9-7-13)11-15(19)14-10-12(17)4-5-16(14)20-2/h4-5,10,13H,3,6-9,11H2,1-2H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 295.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 61216852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).