3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide

C15H15Cl3N2OS — CID 119461750

IUPAC3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCCNC1)c1sc2cc(Cl)cc(Cl)c2c1Cl
InChIInChI=1S/C15H15Cl3N2OS/c16-9-4-10(17)12-11(5-9)22-14(13(12)18)15(21)20-7-8-2-1-3-19-6-8/h4-5,8,19H,1-3,6-7H2,(H,20,21)
InChIKeyJAZXVOQENOJTKF-UHFFFAOYSA-N
MW377.72 g/mol
LogP4.59
Rot. Bonds3

About 3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide

3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 119461750) has the molecular formula C15H15Cl3N2OS and a molecular weight of 377.72 g/mol. Its IUPAC name is 3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID119461750
Molecular FormulaC15H15Cl3N2OS
Molecular Weight377.72 g/mol
Exact Mass376.00
IUPAC Name3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCCNC1)c1sc2cc(Cl)cc(Cl)c2c1Cl
InChIInChI=1S/C15H15Cl3N2OS/c16-9-4-10(17)12-11(5-9)22-14(13(12)18)15(21)20-7-8-2-1-3-19-6-8/h4-5,8,19H,1-3,6-7H2,(H,20,21)
InChIKeyJAZXVOQENOJTKF-UHFFFAOYSA-N
XLogP4.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.72
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119558468
2,5-dichloro-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119461858
3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 126786471
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
3,4,6-trichloro-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 47100241
5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119460953
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 178146409
2-(2,6-dichlorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 166358028
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
3,6-dichloro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119537076
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 119461750) is 3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide is O=C(NCC1CCCNC1)c1sc2cc(Cl)cc(Cl)c2c1Cl.
What is the InChIKey of 3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is JAZXVOQENOJTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2OS/c16-9-4-10(17)12-11(5-9)22-14(13(12)18)15(21)20-7-8-2-1-3-19-6-8/h4-5,8,19H,1-3,6-7H2,(H,20,21).
What are the key properties of 3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 377.72 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trichloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119461750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).