(2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate

C12H15NO3S — CID 2356154

IUPAC(2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C12H15NO3S/c14-11(13-6-2-1-3-7-13)9-16-12(15)10-5-4-8-17-10/h4-5,8H,1-3,6-7,9H2
InChIKeyNGCREZMXOHAVIC-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.92
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate

(2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate (PubChem CID 2356154) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate
PubChem CID2356154
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C12H15NO3S/c14-11(13-6-2-1-3-7-13)9-16-12(15)10-5-4-8-17-10/h4-5,8H,1-3,6-7,9H2
InChIKeyNGCREZMXOHAVIC-UHFFFAOYSA-N
XLogP1.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-oxo-2-piperidin-1-ylethyl) thiophene-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

(2-oxo-2-piperidin-1-ylethyl) (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2363001
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 2355144
[2-(azepan-1-yl)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61315453
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879714
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] thiophene-2-carboxylate
CID 55397091
[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 71905138
[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 9199359
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408
(2-oxo-2-piperidin-1-ylethyl) 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 55378821
1-(azepan-1-yl)-2-thiophen-2-ylethane-1,2-dione
CID 82116951
2-phenoxy-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798120

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate (CID 2356154) is (2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate is O=C(OCC(=O)N1CCCCC1)c1cccs1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate?
The InChIKey is NGCREZMXOHAVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-11(13-6-2-1-3-7-13)9-16-12(15)10-5-4-8-17-10/h4-5,8H,1-3,6-7,9H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate has a molecular weight of 253.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate is sourced from PubChem (CID 2356154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).