5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide

C16H19FN2OS — CID 119460953

IUPAC5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCNC2)sc2ccc(F)cc12
InChIInChI=1S/C16H19FN2OS/c1-10-13-7-12(17)4-5-14(13)21-15(10)16(20)19-9-11-3-2-6-18-8-11/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,19,20)
InChIKeyLXPIJURFIRYLSX-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.08
Rot. Bonds3

About 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide

5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 119460953) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID119460953
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCNC2)sc2ccc(F)cc12
InChIInChI=1S/C16H19FN2OS/c1-10-13-7-12(17)4-5-14(13)21-15(10)16(20)19-9-11-3-2-6-18-8-11/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,19,20)
InChIKeyLXPIJURFIRYLSX-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide 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

5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119510947
5-fluoro-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 55996331
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 110902894
5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119512740
5-fluoro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 119530599
N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119463068
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 103690758
3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119461750
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 119460953) is 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCC2CCCNC2)sc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is LXPIJURFIRYLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-10-13-7-12(17)4-5-14(13)21-15(10)16(20)19-9-11-3-2-6-18-8-11/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,19,20).
What are the key properties of 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119460953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).