2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone

C16H20FNO2 — CID 144525769

IUPAC2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone
SMILESCC(=O)N1CCC(CC(=O)c2ccc(C)cc2F)CC1
InChIInChI=1S/C16H20FNO2/c1-11-3-4-14(15(17)9-11)16(20)10-13-5-7-18(8-6-13)12(2)19/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyJEOKAQCIKCWEII-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.97
Rot. Bonds3

About 2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone

2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone (PubChem CID 144525769) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone
PubChem CID144525769
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone
SMILESCC(=O)N1CCC(CC(=O)c2ccc(C)cc2F)CC1
InChIInChI=1S/C16H20FNO2/c1-11-3-4-14(15(17)9-11)16(20)10-13-5-7-18(8-6-13)12(2)19/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyJEOKAQCIKCWEII-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one
CID 114978262
[3-(2-bromoethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 114801515
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115784981
1-(2-amino-5-methylphenyl)-2-cyclopropylethanone
CID 116581446
(2-fluoro-4-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79810538
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91795304
1-(2-fluoro-4-methylphenyl)-3-methylbut-3-en-1-one
CID 115780535
tert-butyl (3S)-3-[2-(4-bromo-2-fluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 159472605
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone (CID 144525769) is 2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone is CC(=O)N1CCC(CC(=O)c2ccc(C)cc2F)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone?
The InChIKey is JEOKAQCIKCWEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-11-3-4-14(15(17)9-11)16(20)10-13-5-7-18(8-6-13)12(2)19/h3-4,9,13H,5-8,10H2,1-2H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone?
2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone has a molecular weight of 277.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 144525769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).