[2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate

C13H17NO3S — CID 2352391

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2cccs2)CC1
InChIInChI=1S/C13H17NO3S/c1-10-4-6-14(7-5-10)12(15)9-17-13(16)11-3-2-8-18-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyAZEGKSKTHUKIMW-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.16
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2352391) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2352391
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2cccs2)CC1
InChIInChI=1S/C13H17NO3S/c1-10-4-6-14(7-5-10)12(15)9-17-13(16)11-3-2-8-18-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyAZEGKSKTHUKIMW-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[2-(Cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2355136
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2413047
[2-(Ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2418493
[2-(Cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432541
[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2436450
[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 3-methyl-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-butyl ester
CID 648442

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate (CID 2352391) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate is CC1CCN(C(=O)COC(=O)c2cccs2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is AZEGKSKTHUKIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-10-4-6-14(7-5-10)12(15)9-17-13(16)11-3-2-8-18-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2352391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).