methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate

C15H16FNO2S — CID 69181930

IUPACmethyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2cc(F)ccc2c1C1CCNCC1
InChIInChI=1S/C15H16FNO2S/c1-19-15(18)14-13(9-4-6-17-7-5-9)11-3-2-10(16)8-12(11)20-14/h2-3,8-9,17H,4-7H2,1H3
InChIKeyYLZQODISMBJVAV-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.29
Rot. Bonds2

About methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate

methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate (PubChem CID 69181930) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate
PubChem CID69181930
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Namemethyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2cc(F)ccc2c1C1CCNCC1
InChIInChI=1S/C15H16FNO2S/c1-19-15(18)14-13(9-4-6-17-7-5-9)11-3-2-10(16)8-12(11)20-14/h2-3,8-9,17H,4-7H2,1H3
InChIKeyYLZQODISMBJVAV-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-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

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate (CID 69181930) is methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate is COC(=O)c1sc2cc(F)ccc2c1C1CCNCC1.
What is the InChIKey of methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate?
The InChIKey is YLZQODISMBJVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-19-15(18)14-13(9-4-6-17-7-5-9)11-3-2-10(16)8-12(11)20-14/h2-3,8-9,17H,4-7H2,1H3.
What are the key properties of methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate?
methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-3-piperidin-4-yl-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 69181930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).