1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone

C16H23NO3 — CID 43796226

IUPAC1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCCOc1ccccc1C(=O)CN1CCC(OC)CC1
InChIInChI=1S/C16H23NO3/c1-3-20-16-7-5-4-6-14(16)15(18)12-17-10-8-13(19-2)9-11-17/h4-7,13H,3,8-12H2,1-2H3
InChIKeyXEEGOSJXDRQSMA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.38
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone

1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 43796226) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
PubChem CID43796226
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCCOc1ccccc1C(=O)CN1CCC(OC)CC1
InChIInChI=1S/C16H23NO3/c1-3-20-16-7-5-4-6-14(16)15(18)12-17-10-8-13(19-2)9-11-17/h4-7,13H,3,8-12H2,1-2H3
InChIKeyXEEGOSJXDRQSMA-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
CID 43794286
1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393674
1-(2-ethoxyphenyl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405344
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218
1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796259
1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219428
1-[2-(2-ethoxyphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 62037237
1-(2-ethoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635347
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
CID 60884096

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone (CID 43796226) is 1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone is CCOc1ccccc1C(=O)CN1CCC(OC)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is XEEGOSJXDRQSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-16-7-5-4-6-14(16)15(18)12-17-10-8-13(19-2)9-11-17/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone?
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43796226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).