2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone

C15H23NO2S — CID 61219184

IUPAC2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCOC1CCN(CC(=O)c2ccc(CC)s2)CC1
InChIInChI=1S/C15H23NO2S/c1-3-13-5-6-15(19-13)14(17)11-16-9-7-12(8-10-16)18-4-2/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyMFGJBBMKEQAUCR-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone

2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 61219184) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID61219184
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCOC1CCN(CC(=O)c2ccc(CC)s2)CC1
InChIInChI=1S/C15H23NO2S/c1-3-13-5-6-15(19-13)14(17)11-16-9-7-12(8-10-16)18-4-2/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyMFGJBBMKEQAUCR-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone
CID 43227597
1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone
CID 114237526
2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 61445237
1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 113418108
1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61216135
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one
CID 60680384
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61215953
2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 61216852
1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone
CID 63558654
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 114082271
2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43228150
1-(5-ethylthiophen-2-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62050766

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone (CID 61219184) is 2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone is CCOC1CCN(CC(=O)c2ccc(CC)s2)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is MFGJBBMKEQAUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-13-5-6-15(19-13)14(17)11-16-9-7-12(8-10-16)18-4-2/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 281.42 g/mol, XLogP of 2.99, 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-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 61219184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).