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

C15H18N2OS — CID 106995225

IUPACN-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
SMILESCC1CC(NC(=O)c2cc3ccccc3s2)CCN1
InChIInChI=1S/C15H18N2OS/c1-10-8-12(6-7-16-10)17-15(18)14-9-11-4-2-3-5-13(11)19-14/h2-5,9-10,12,16H,6-8H2,1H3,(H,17,18)
InChIKeyUZVDWSHOPSHGFT-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.77
Rot. Bonds2

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

N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide (PubChem CID 106995225) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
PubChem CID106995225
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
SMILESCC1CC(NC(=O)c2cc3ccccc3s2)CCN1
InChIInChI=1S/C15H18N2OS/c1-10-8-12(6-7-16-10)17-15(18)14-9-11-4-2-3-5-13(11)19-14/h2-5,9-10,12,16H,6-8H2,1H3,(H,17,18)
InChIKeyUZVDWSHOPSHGFT-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
CID 120600464
N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 120600778
2-(dimethylamino)-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 120599713
N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120598863
2-methyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 107093535
N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120600855
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 106995228
1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 120598947
N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 51300035
5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120598957
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide (CID 106995225) is N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide is CC1CC(NC(=O)c2cc3ccccc3s2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is UZVDWSHOPSHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-8-12(6-7-16-10)17-15(18)14-9-11-4-2-3-5-13(11)19-14/h2-5,9-10,12,16H,6-8H2,1H3,(H,17,18).
What are the key properties of N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide?
N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 2.77, 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)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106995225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).