3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid

C11H15NO2S — CID 159578237

IUPAC3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid
SMILESCN1CCC(c2ccsc2C(=O)O)CC1
InChIInChI=1S/C11H15NO2S/c1-12-5-2-8(3-6-12)9-4-7-15-10(9)11(13)14/h4,7-8H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyMIRHDBCUYSACCM-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.26
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid

3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid (PubChem CID 159578237) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid
PubChem CID159578237
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid
SMILESCN1CCC(c2ccsc2C(=O)O)CC1
InChIInChI=1S/C11H15NO2S/c1-12-5-2-8(3-6-12)9-4-7-15-10(9)11(13)14/h4,7-8H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyMIRHDBCUYSACCM-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid (CID 159578237) is 3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid is CN1CCC(c2ccsc2C(=O)O)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid?
The InChIKey is MIRHDBCUYSACCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12-5-2-8(3-6-12)9-4-7-15-10(9)11(13)14/h4,7-8H,2-3,5-6H2,1H3,(H,13,14).
What are the key properties of 3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid?
3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 159578237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).