N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride

C15H19ClN2OS — CID 120567142

IUPACN-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCC1(NC(=O)c2cc3ccccc3s2)CCNCC1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-15(6-8-16-9-7-15)17-14(18)13-10-11-4-2-3-5-12(11)19-13;/h2-5,10,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyDXGNREJIGGAKHA-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.19
Rot. Bonds2

About N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride

N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 120567142) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID120567142
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCC1(NC(=O)c2cc3ccccc3s2)CCNCC1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-15(6-8-16-9-7-15)17-14(18)13-10-11-4-2-3-5-12(11)19-13;/h2-5,10,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyDXGNREJIGGAKHA-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride (CID 120567142) is N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride is CC1(NC(=O)c2cc3ccccc3s2)CCNCC1.Cl.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is DXGNREJIGGAKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.ClH/c1-15(6-8-16-9-7-15)17-14(18)13-10-11-4-2-3-5-12(11)19-13;/h2-5,10,16H,6-9H2,1H3,(H,17,18);1H.
What are the key properties of N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride?
N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120567142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).