3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide

C27H33N3OS — CID 55738225

IUPAC3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide
SMILESCC(C)c1ccc(-c2nc(CN3CCC(NC(=O)CCc4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C27H33N3OS/c1-20(2)22-9-11-23(12-10-22)27-29-25(19-32-27)18-30-16-14-24(15-17-30)28-26(31)13-8-21-6-4-3-5-7-21/h3-7,9-12,19-20,24H,8,13-18H2,1-2H3,(H,28,31)
InChIKeyRWMVKMHJIBIWGL-UHFFFAOYSA-N
MW447.65 g/mol
LogP5.65
Rot. Bonds8

About 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide

3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide (PubChem CID 55738225) has the molecular formula C27H33N3OS and a molecular weight of 447.65 g/mol. Its IUPAC name is 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide
PubChem CID55738225
Molecular FormulaC27H33N3OS
Molecular Weight447.65 g/mol
Exact Mass447.23
IUPAC Name3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide
SMILESCC(C)c1ccc(-c2nc(CN3CCC(NC(=O)CCc4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C27H33N3OS/c1-20(2)22-9-11-23(12-10-22)27-29-25(19-32-27)18-30-16-14-24(15-17-30)28-26(31)13-8-21-6-4-3-5-7-21/h3-7,9-12,19-20,24H,8,13-18H2,1-2H3,(H,28,31)
InChIKeyRWMVKMHJIBIWGL-UHFFFAOYSA-N
XLogP5.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.65
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide with MolForge

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Related Compounds

3-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]propanoic acid
CID 122101047
3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453506
N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 55923069
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26652312
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 26392211
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738132
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide (CID 55738225) is 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide is CC(C)c1ccc(-c2nc(CN3CCC(NC(=O)CCc4ccccc4)CC3)cs2)cc1.
What is the InChIKey of 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide?
The InChIKey is RWMVKMHJIBIWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3OS/c1-20(2)22-9-11-23(12-10-22)27-29-25(19-32-27)18-30-16-14-24(15-17-30)28-26(31)13-8-21-6-4-3-5-7-21/h3-7,9-12,19-20,24H,8,13-18H2,1-2H3,(H,28,31).
What are the key properties of 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide?
3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide has a molecular weight of 447.65 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55738225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).