5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide

C15H18N2OS — CID 145194354

IUPAC5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCCNC3)cc2c1
InChIInChI=1S/C15H18N2OS/c1-10-4-5-13-11(7-10)8-14(19-13)15(18)17-12-3-2-6-16-9-12/h4-5,7-8,12,16H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyUPKBXIVFRMMXCJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.69
Rot. Bonds2

About 5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide

5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 145194354) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
PubChem CID145194354
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCCNC3)cc2c1
InChIInChI=1S/C15H18N2OS/c1-10-4-5-13-11(7-10)8-14(19-13)15(18)17-12-3-2-6-16-9-12/h4-5,7-8,12,16H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyUPKBXIVFRMMXCJ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide
CID 104982451
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 77498341
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194357
4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194329
N-piperidin-3-yl-1-benzothiophene-5-carboxamide
CID 119426134
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide (CID 145194354) is 5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NC3CCCNC3)cc2c1.
What is the InChIKey of 5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is UPKBXIVFRMMXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-4-5-13-11(7-10)8-14(19-13)15(18)17-12-3-2-6-16-9-12/h4-5,7-8,12,16H,2-3,6,9H2,1H3,(H,17,18).
What are the key properties of 5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide?
5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 145194354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).