N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride

C15H21ClN2OS — CID 119443019

IUPACN-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCN(C(=O)C1Cc2ccccc2S1)C1CCNCC1.Cl
InChIInChI=1S/C15H20N2OS.ClH/c1-17(12-6-8-16-9-7-12)15(18)14-10-11-4-2-3-5-13(11)19-14;/h2-5,12,14,16H,6-10H2,1H3;1H
InChIKeyXAOLNTNPWRIRKJ-UHFFFAOYSA-N
MW312.87 g/mol
LogP2.34
Rot. Bonds2

About N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride

N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119443019) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119443019
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCN(C(=O)C1Cc2ccccc2S1)C1CCNCC1.Cl
InChIInChI=1S/C15H20N2OS.ClH/c1-17(12-6-8-16-9-7-12)15(18)14-10-11-4-2-3-5-13(11)19-14;/h2-5,12,14,16H,6-10H2,1H3;1H
InChIKeyXAOLNTNPWRIRKJ-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214070
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217681
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79700880
N-(2-chlorocyclohexyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 102638218
N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395366
(2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 99778566
N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119426947
N-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119746215
N-methyl-N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43602044
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564492
cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone
CID 130171257
N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 107735819

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride (CID 119443019) is N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride is CN(C(=O)C1Cc2ccccc2S1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is XAOLNTNPWRIRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS.ClH/c1-17(12-6-8-16-9-7-12)15(18)14-10-11-4-2-3-5-13(11)19-14;/h2-5,12,14,16H,6-10H2,1H3;1H.
What are the key properties of N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 312.87 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119443019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).