2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone

C16H23FN2O2 — CID 63609080

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCN1CCN(CC(=O)c2cc(F)ccc2OC)CC1C
InChIInChI=1S/C16H23FN2O2/c1-4-19-8-7-18(10-12(19)2)11-15(20)14-9-13(17)5-6-16(14)21-3/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyDWCTVNBICAHDAB-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.04
Rot. Bonds5

About 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone

2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 63609080) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID63609080
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCN1CCN(CC(=O)c2cc(F)ccc2OC)CC1C
InChIInChI=1S/C16H23FN2O2/c1-4-19-8-7-18(10-12(19)2)11-15(20)14-9-13(17)5-6-16(14)21-3/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyDWCTVNBICAHDAB-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.04
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
2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227111
1-(5-fluoro-2-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626411
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 61216852
1-(5-fluoro-2-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62051168
2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-5-fluorobenzoic acid
CID 63619708
2-(2-ethylpiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227563
1-(2,5-dichlorothiophen-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 55216582
1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102449
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-4-methoxybenzoic acid
CID 63635444
1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83043920

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 63609080) is 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone is CCN1CCN(CC(=O)c2cc(F)ccc2OC)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is DWCTVNBICAHDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-19-8-7-18(10-12(19)2)11-15(20)14-9-13(17)5-6-16(14)21-3/h5-6,9,12H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 294.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 63609080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).