[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate

C15H21NO3S — CID 4649226

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2C(C)CCCC2C)s1
InChIInChI=1S/C15H21NO3S/c1-10-5-4-6-11(2)16(10)14(17)9-19-15(18)13-8-7-12(3)20-13/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyQXTKWRSQPPVLKA-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.00
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 4649226) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID4649226
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2C(C)CCCC2C)s1
InChIInChI=1S/C15H21NO3S/c1-10-5-4-6-11(2)16(10)14(17)9-19-15(18)13-8-7-12(3)20-13/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyQXTKWRSQPPVLKA-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.00
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-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3508798
Thiophene-2-carboxylic acid 1-cyclohexylcarbamoyl-propyl ester
CID 645876
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2367113
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2379586
3-Methyl-2-thiophenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
CID 2431072
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 2999093
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 25163469
Thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl ester
CID 1084755
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2346224
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 2352391

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 4649226) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)N2C(C)CCCC2C)s1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is QXTKWRSQPPVLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-10-5-4-6-11(2)16(10)14(17)9-19-15(18)13-8-7-12(3)20-13/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 3.00, 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] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 4649226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).