N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide

C15H18N2OS — CID 25236399

IUPACN-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
SMILESCN1CCC(NC(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C15H18N2OS/c1-17-8-6-11(7-9-17)16-15(18)13-10-19-14-5-3-2-4-12(13)14/h2-5,10-11H,6-9H2,1H3,(H,16,18)
InChIKeyUFHFBQYKNKQGRC-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.73
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide

N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide (PubChem CID 25236399) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
PubChem CID25236399
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
SMILESCN1CCC(NC(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C15H18N2OS/c1-17-8-6-11(7-9-17)16-15(18)13-10-19-14-5-3-2-4-12(13)14/h2-5,10-11H,6-9H2,1H3,(H,16,18)
InChIKeyUFHFBQYKNKQGRC-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
CID 114550457
N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
CID 115272862
cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320846
N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119426966
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
ethane;5-methyl-N-(1-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 145257142
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
CID 54045835
5-(1-benzothiophene-3-carbonylamino)-6-(2-methylanilino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 176510239
N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide
CID 122158928
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide (CID 25236399) is N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide is CN1CCC(NC(=O)c2csc3ccccc23)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide?
The InChIKey is UFHFBQYKNKQGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17-8-6-11(7-9-17)16-15(18)13-10-19-14-5-3-2-4-12(13)14/h2-5,10-11H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide?
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 25236399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).