3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide

C14H16FN3OS — CID 79511694

IUPAC3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NC2CCNCC2)sc2cccc(F)c12
InChIInChI=1S/C14H16FN3OS/c15-9-2-1-3-10-11(9)12(16)13(20-10)14(19)18-8-4-6-17-7-5-8/h1-3,8,17H,4-7,16H2,(H,18,19)
InChIKeyAZFPMRQZSIWMPN-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.10
Rot. Bonds2

About 3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide

3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide (PubChem CID 79511694) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
PubChem CID79511694
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NC2CCNCC2)sc2cccc(F)c12
InChIInChI=1S/C14H16FN3OS/c15-9-2-1-3-10-11(9)12(16)13(20-10)14(19)18-8-4-6-17-7-5-8/h1-3,8,17H,4-7,16H2,(H,18,19)
InChIKeyAZFPMRQZSIWMPN-UHFFFAOYSA-N
XLogP2.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 79510859
3-amino-4-fluoro-N-(2-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79517182
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
4-fluoro-3-(methoxymethyl)-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 119450232
3-amino-4-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 79512370
3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 79516022
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 79517609
3-amino-4-fluoro-N-(3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 79510954
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181
4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 62490061
3-amino-4-fluoro-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 79511989

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide (CID 79511694) is 3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NC2CCNCC2)sc2cccc(F)c12.
What is the InChIKey of 3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide?
The InChIKey is AZFPMRQZSIWMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-9-2-1-3-10-11(9)12(16)13(20-10)14(19)18-8-4-6-17-7-5-8/h1-3,8,17H,4-7,16H2,(H,18,19).
What are the key properties of 3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide?
3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79511694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).