5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide

C20H26N2OS — CID 17249931

IUPAC5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2csc(C)c2-c2ccccc2)CC1
InChIInChI=1S/C20H26N2OS/c1-3-11-22-12-9-17(10-13-22)21-20(23)18-14-24-15(2)19(18)16-7-5-4-6-8-16/h4-8,14,17H,3,9-13H2,1-2H3,(H,21,23)
InChIKeyFBMPBECADSXOPF-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.33
Rot. Bonds5

About 5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide

5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide (PubChem CID 17249931) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide
PubChem CID17249931
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2csc(C)c2-c2ccccc2)CC1
InChIInChI=1S/C20H26N2OS/c1-3-11-22-12-9-17(10-13-22)21-20(23)18-14-24-15(2)19(18)16-7-5-4-6-8-16/h4-8,14,17H,3,9-13H2,1-2H3,(H,21,23)
InChIKeyFBMPBECADSXOPF-UHFFFAOYSA-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

2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-phenylthiophene-2-carboxamide
CID 10291446
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084
N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734031
N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734129
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide (CID 17249931) is 5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide is CCCN1CCC(NC(=O)c2csc(C)c2-c2ccccc2)CC1.
What is the InChIKey of 5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide?
The InChIKey is FBMPBECADSXOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-3-11-22-12-9-17(10-13-22)21-20(23)18-14-24-15(2)19(18)16-7-5-4-6-8-16/h4-8,14,17H,3,9-13H2,1-2H3,(H,21,23).
What are the key properties of 5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide?
5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-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 5-methyl-4-phenyl-N-(1-propylpiperidin-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 17249931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).