[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate

C14H19NO3S — CID 3338624

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1cccs1
InChIInChI=1S/C14H19NO3S/c1-10-5-3-6-11(2)15(10)13(16)9-18-14(17)12-7-4-8-19-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyCURXROMGEKAKIX-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.69
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 3338624) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID3338624
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1cccs1
InChIInChI=1S/C14H19NO3S/c1-10-5-3-6-11(2)15(10)13(16)9-18-14(17)12-7-4-8-19-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyCURXROMGEKAKIX-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate (CID 3338624) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate is CC1CCCC(C)N1C(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is CURXROMGEKAKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10-5-3-6-11(2)15(10)13(16)9-18-14(17)12-7-4-8-19-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 3338624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).