4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide

C18H22N2OS — CID 25236677

IUPAC4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C)CC2)sc1-c1ccccc1
InChIInChI=1S/C18H22N2OS/c1-13-12-16(22-17(13)14-6-4-3-5-7-14)18(21)19-15-8-10-20(2)11-9-15/h3-7,12,15H,8-11H2,1-2H3,(H,19,21)
InChIKeyLGOYMLRIPOSQGD-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.55
Rot. Bonds3

About 4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide

4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide (PubChem CID 25236677) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
PubChem CID25236677
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C)CC2)sc1-c1ccccc1
InChIInChI=1S/C18H22N2OS/c1-13-12-16(22-17(13)14-6-4-3-5-7-14)18(21)19-15-8-10-20(2)11-9-15/h3-7,12,15H,8-11H2,1-2H3,(H,19,21)
InChIKeyLGOYMLRIPOSQGD-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-5-phenylthiophene-2-carboxamide
CID 125418912
N-(1-azabicyclo[2.2.2]octan-2-yl)-4-methyl-5-phenylthiophene-2-carboxamide
CID 90691552
N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 119477809
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
CID 17174245
4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide
CID 47114418
4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide
CID 125434439
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 16613362
2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 86919755
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide (CID 25236677) is 4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CCN(C)CC2)sc1-c1ccccc1.
What is the InChIKey of 4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide?
The InChIKey is LGOYMLRIPOSQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-12-16(22-17(13)14-6-4-3-5-7-14)18(21)19-15-8-10-20(2)11-9-15/h3-7,12,15H,8-11H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide?
4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 25236677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).