4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide

C18H22N2OS — CID 37172802

IUPAC4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCCCC2)sc1C
InChIInChI=1S/C18H22N2OS/c1-13-12-17(22-14(13)2)18(21)19-15-8-4-5-9-16(15)20-10-6-3-7-11-20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyCYPWXFRZEDRDFO-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.61
Rot. Bonds3

About 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide

4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 37172802) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID37172802
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCCCC2)sc1C
InChIInChI=1S/C18H22N2OS/c1-13-12-17(22-14(13)2)18(21)19-15-8-4-5-9-16(15)20-10-6-3-7-11-20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyCYPWXFRZEDRDFO-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 110900176
5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926
N-[2-(azepan-1-yl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 71881060
3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 35728610
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
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-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-nitrothiophene-2-carboxamide
CID 31826641
2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 37172830
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584
1-benzyl-3-methyl-N-(2-pyrrolidin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112770174

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide (CID 37172802) is 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is CYPWXFRZEDRDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-12-17(22-14(13)2)18(21)19-15-8-4-5-9-16(15)20-10-6-3-7-11-20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 37172802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).