3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide

C17H20N2OS — CID 35728610

IUPAC3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C17H20N2OS/c1-13-9-12-21-16(13)17(20)18-14-7-3-4-8-15(14)19-10-5-2-6-11-19/h3-4,7-9,12H,2,5-6,10-11H2,1H3,(H,18,20)
InChIKeyWDJWDFSILPDPSH-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.30
Rot. Bonds3

About 3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide

3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 35728610) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID35728610
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C17H20N2OS/c1-13-9-12-21-16(13)17(20)18-14-7-3-4-8-15(14)19-10-5-2-6-11-19/h3-4,7-9,12H,2,5-6,10-11H2,1H3,(H,18,20)
InChIKeyWDJWDFSILPDPSH-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740
4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 37172802
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
3-acetamido-N-[2-(azepan-1-yl)phenyl]-4-methylbenzamide
CID 86998079
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926
3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 110903804
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
N-[2-(azepan-1-yl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 71881060
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 37172830

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide (CID 35728610) is 3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is WDJWDFSILPDPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-9-12-21-16(13)17(20)18-14-7-3-4-8-15(14)19-10-5-2-6-11-19/h3-4,7-9,12H,2,5-6,10-11H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 35728610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).