4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide

C20H26N2OS — CID 125434439

IUPAC4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](C)N2CCCCC2)sc1-c1ccccc1
InChIInChI=1S/C20H26N2OS/c1-15-13-18(24-19(15)17-9-5-3-6-10-17)20(23)21-14-16(2)22-11-7-4-8-12-22/h3,5-6,9-10,13,16H,4,7-8,11-12,14H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyGUNUPZINOXOFMF-MRXNPFEDSA-N
MW342.51 g/mol
LogP4.33
Rot. Bonds5

About 4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide

4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide (PubChem CID 125434439) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide
PubChem CID125434439
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](C)N2CCCCC2)sc1-c1ccccc1
InChIInChI=1S/C20H26N2OS/c1-15-13-18(24-19(15)17-9-5-3-6-10-17)20(23)21-14-16(2)22-11-7-4-8-12-22/h3,5-6,9-10,13,16H,4,7-8,11-12,14H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyGUNUPZINOXOFMF-MRXNPFEDSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 61073693
4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 47168421
4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
CID 17174245
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
4-methyl-N-(1-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 25236677
4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522629
5-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 45133089
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43855019
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide (CID 125434439) is 4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide is Cc1cc(C(=O)NC[C@@H](C)N2CCCCC2)sc1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide?
The InChIKey is GUNUPZINOXOFMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-15-13-18(24-19(15)17-9-5-3-6-10-17)20(23)21-14-16(2)22-11-7-4-8-12-22/h3,5-6,9-10,13,16H,4,7-8,11-12,14H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide?
4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide has a molecular weight of 342.51 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 125434439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).