[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate

C14H19NO3S — CID 3901281

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCCC1CCCCN1C(=O)COC(=O)c1cccs1
InChIInChI=1S/C14H19NO3S/c1-2-11-6-3-4-8-15(11)13(16)10-18-14(17)12-7-5-9-19-12/h5,7,9,11H,2-4,6,8,10H2,1H3
InChIKeyYZDFMRGYQOPYHN-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.70
Rot. Bonds4

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 3901281) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID3901281
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCCC1CCCCN1C(=O)COC(=O)c1cccs1
InChIInChI=1S/C14H19NO3S/c1-2-11-6-3-4-8-15(11)13(16)10-18-14(17)12-7-5-9-19-12/h5,7,9,11H,2-4,6,8,10H2,1H3
InChIKeyYZDFMRGYQOPYHN-UHFFFAOYSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2355136
[2-(Cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2407246
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2413047
[2-(Cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432541
Thiophene-2-carboxylic acid 1-cyclopropylcarbamoyl-ethyl ester
CID 3227620
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3508798
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4282910
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 4649226
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] thiophene-2-carboxylate
CID 4043857
Thiophene-2-carboxylic acid 1-cyclohexylcarbamoyl-propyl ester
CID 645876
Thiophene-2-carboxylic acid 1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-ethyl ester
CID 650527
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2367113

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate (CID 3901281) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate is CCC1CCCCN1C(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is YZDFMRGYQOPYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-11-6-3-4-8-15(11)13(16)10-18-14(17)12-7-5-9-19-12/h5,7,9,11H,2-4,6,8,10H2,1H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 3901281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).