N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride

C15H23ClN2OS — CID 120600778

IUPACN-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cc3c(s2)CCCC3)CCN1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-10-8-12(6-7-16-10)17-15(18)14-9-11-4-2-3-5-13(11)19-14;/h9-10,12,16H,2-8H2,1H3,(H,17,18);1H
InChIKeyXIONQYDPDPLHLL-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.92
Rot. Bonds2

About N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride

N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 120600778) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID120600778
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC NameN-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cc3c(s2)CCCC3)CCN1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-10-8-12(6-7-16-10)17-15(18)14-9-11-4-2-3-5-13(11)19-14;/h9-10,12,16H,2-8H2,1H3,(H,17,18);1H
InChIKeyXIONQYDPDPLHLL-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031724
cis-(1R,3S)-3-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 120678419
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 119456368
N-(4-oxocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43652917
N-(2-methylpiperidin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114694841
N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 106995225
N-(3,3-dimethylcyclopentyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 114550474
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 55339840
N-(3-aminocyclobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43595018
N-(2-methylpiperidin-4-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 120599765

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride (CID 120600778) is N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride is CC1CC(NC(=O)c2cc3c(s2)CCCC3)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is XIONQYDPDPLHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-10-8-12(6-7-16-10)17-15(18)14-9-11-4-2-3-5-13(11)19-14;/h9-10,12,16H,2-8H2,1H3,(H,17,18);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120600778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).