methyl 5-piperidin-2-ylthiophene-3-carboxylate

C11H15NO2S — CID 130022786

IUPACmethyl 5-piperidin-2-ylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(C2CCCCN2)c1
InChIInChI=1S/C11H15NO2S/c1-14-11(13)8-6-10(15-7-8)9-4-2-3-5-12-9/h6-7,9,12H,2-5H2,1H3
InChIKeyFVCOTMSZBGJYCB-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.35
Rot. Bonds2

About methyl 5-piperidin-2-ylthiophene-3-carboxylate

methyl 5-piperidin-2-ylthiophene-3-carboxylate (PubChem CID 130022786) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 5-piperidin-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-piperidin-2-ylthiophene-3-carboxylate
PubChem CID130022786
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 5-piperidin-2-ylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(C2CCCCN2)c1
InChIInChI=1S/C11H15NO2S/c1-14-11(13)8-6-10(15-7-8)9-4-2-3-5-12-9/h6-7,9,12H,2-5H2,1H3
InChIKeyFVCOTMSZBGJYCB-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
methyl 3-piperidin-2-ylbenzoate;hydrochloride
CID 91798908
methyl 3-methoxy-4-[(2S)-piperidin-2-yl]benzoate
CID 125468644
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
methyl 6-piperidin-2-ylpyridine-3-carboxylate
CID 115032044
methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
CID 131276889
methyl 4-methyl-3-pyrrolidin-2-ylbenzoate
CID 57440534
2-(5-methoxythiophen-2-yl)piperidine
CID 130164086
methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693
methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate
CID 45251024
methyl 3-fluoro-2-hydroxy-5-piperidin-2-ylbenzoate
CID 117385565
dimethyl 5-(piperidine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119263110

Frequently Asked Questions

What is the IUPAC name of methyl 5-piperidin-2-ylthiophene-3-carboxylate?
The IUPAC name of methyl 5-piperidin-2-ylthiophene-3-carboxylate (CID 130022786) is methyl 5-piperidin-2-ylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-piperidin-2-ylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-piperidin-2-ylthiophene-3-carboxylate is COC(=O)c1csc(C2CCCCN2)c1.
What is the InChIKey of methyl 5-piperidin-2-ylthiophene-3-carboxylate?
The InChIKey is FVCOTMSZBGJYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-11(13)8-6-10(15-7-8)9-4-2-3-5-12-9/h6-7,9,12H,2-5H2,1H3.
What are the key properties of methyl 5-piperidin-2-ylthiophene-3-carboxylate?
methyl 5-piperidin-2-ylthiophene-3-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-piperidin-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 130022786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).