3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide

C18H22N2OS — CID 120554210

IUPAC3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C18H22N2OS/c1-12-3-5-14(6-4-12)15-8-10-22-17(15)18(21)20-16-7-9-19-11-13(16)2/h3-6,8,10,13,16,19H,7,9,11H2,1-2H3,(H,20,21)
InChIKeyQYNHYTVJLKFCGW-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.45
Rot. Bonds3

About 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide

3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 120554210) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID120554210
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C18H22N2OS/c1-12-3-5-14(6-4-12)15-8-10-22-17(15)18(21)20-16-7-9-19-11-13(16)2/h3-6,8,10,13,16,19H,7,9,11H2,1-2H3,(H,20,21)
InChIKeyQYNHYTVJLKFCGW-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120556997
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120556996
3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120553430
N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 120555354
4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229187
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 120555492
2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553364
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride
CID 120948558
5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557411
4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 120557568
4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120557762

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 120554210) is 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)NC2CCNCC2C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is QYNHYTVJLKFCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-12-3-5-14(6-4-12)15-8-10-22-17(15)18(21)20-16-7-9-19-11-13(16)2/h3-6,8,10,13,16,19H,7,9,11H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide?
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 120554210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).