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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Related Compounds

N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1-benzothiophene-2-carboxamide
CID 62525440
N-(4-methylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 114696538
2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid
CID 64673369
1-benzothiophen-2-yl-[3-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 59744671
N-(4-methylpiperidin-4-yl)thiadiazole-5-carboxamide;hydrochloride
CID 120567282
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 113372729
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
1-(1-benzothiophen-2-yl)-2-bromopropan-1-one
CID 142706834
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987

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).