3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride

C15H16Cl4N2OS — CID 120600139

IUPAC3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CCN1.Cl
InChIInChI=1S/C15H15Cl3N2OS.ClH/c1-7-4-9(2-3-19-7)20-15(21)14-13(18)12-10(17)5-8(16)6-11(12)22-14;/h5-7,9,19H,2-4H2,1H3,(H,20,21);1H
InChIKeyUYUJCXQCVDTZMQ-UHFFFAOYSA-N
MW414.19 g/mol
LogP5.15
Rot. Bonds2

About 3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride

3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 120600139) has the molecular formula C15H16Cl4N2OS and a molecular weight of 414.19 g/mol. Its IUPAC name is 3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID120600139
Molecular FormulaC15H16Cl4N2OS
Molecular Weight414.19 g/mol
Exact Mass411.97
IUPAC Name3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CCN1.Cl
InChIInChI=1S/C15H15Cl3N2OS.ClH/c1-7-4-9(2-3-19-7)20-15(21)14-13(18)12-10(17)5-8(16)6-11(12)22-14;/h5-7,9,19H,2-4H2,1H3,(H,20,21);1H
InChIKeyUYUJCXQCVDTZMQ-UHFFFAOYSA-N
XLogP5.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.19
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4,6-trichloro-1-benzothiophene-2-carboxamide
CID 134047744
4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 106995370
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
N-(2-amino-1-cyclopropylethyl)-3,4,6-trichloro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119614762
N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 106995225
N-[1-(3,4,6-trichloro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide
CID 47016277
3,4,6-trichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 55857963
2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
CID 120601228
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
3,6-dichloro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 119389377

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride (CID 120600139) is 3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride is CC1CC(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CCN1.Cl.
What is the InChIKey of 3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is UYUJCXQCVDTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2OS.ClH/c1-7-4-9(2-3-19-7)20-15(21)14-13(18)12-10(17)5-8(16)6-11(12)22-14;/h5-7,9,19H,2-4H2,1H3,(H,20,21);1H.
What are the key properties of 3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
3,4,6-trichloro-N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 414.19 g/mol, XLogP of 5.15, 2 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-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120600139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).