ethyl 5-piperidin-1-ylthiophene-2-carboxylate

C12H17NO2S — CID 69360756

IUPACethyl 5-piperidin-1-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(N2CCCCC2)s1
InChIInChI=1S/C12H17NO2S/c1-2-15-12(14)10-6-7-11(16-10)13-8-4-3-5-9-13/h6-7H,2-5,8-9H2,1H3
InChIKeyYVCIDEGVEPPZCW-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.92
Rot. Bonds3

About ethyl 5-piperidin-1-ylthiophene-2-carboxylate

ethyl 5-piperidin-1-ylthiophene-2-carboxylate (PubChem CID 69360756) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is ethyl 5-piperidin-1-ylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-piperidin-1-ylthiophene-2-carboxylate
PubChem CID69360756
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Nameethyl 5-piperidin-1-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(N2CCCCC2)s1
InChIInChI=1S/C12H17NO2S/c1-2-15-12(14)10-6-7-11(16-10)13-8-4-3-5-9-13/h6-7H,2-5,8-9H2,1H3
InChIKeyYVCIDEGVEPPZCW-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-piperidin-1-ylthiophene-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

ethyl 5-morpholin-4-ylthiophene-2-carboxylate
CID 10681573
methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate
CID 10703720
5-(azetidin-1-yl)thiophene-2-carboxylic acid
CID 130547578
ethyl 2-amino-3-(azocan-1-yl)benzoate
CID 115544638
2-hydroxy-4-oxo-4-(5-piperidin-1-ylthiophen-2-yl)but-2-enoic acid
CID 75020431
ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate
CID 143276206
ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride
CID 14219735
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154
ethyl 5-hexylthiophene-2-carboxylate
CID 142697334
tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
CID 86702006
diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate
CID 3810203

Frequently Asked Questions

What is the IUPAC name of ethyl 5-piperidin-1-ylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-piperidin-1-ylthiophene-2-carboxylate (CID 69360756) is ethyl 5-piperidin-1-ylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-piperidin-1-ylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-piperidin-1-ylthiophene-2-carboxylate is CCOC(=O)c1ccc(N2CCCCC2)s1.
What is the InChIKey of ethyl 5-piperidin-1-ylthiophene-2-carboxylate?
The InChIKey is YVCIDEGVEPPZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-15-12(14)10-6-7-11(16-10)13-8-4-3-5-9-13/h6-7H,2-5,8-9H2,1H3.
What are the key properties of ethyl 5-piperidin-1-ylthiophene-2-carboxylate?
ethyl 5-piperidin-1-ylthiophene-2-carboxylate has a molecular weight of 239.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-piperidin-1-ylthiophene-2-carboxylate is sourced from PubChem (CID 69360756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).