2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone

C28H27N3O2S — CID 58431689

IUPAC2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCc1ccc(-c2nc(C(=O)Cc3ccc(N4CCC(O)(c5ccccc5)CC4)nc3)cs2)cc1
InChIInChI=1S/C28H27N3O2S/c1-20-7-10-22(11-8-20)27-30-24(19-34-27)25(32)17-21-9-12-26(29-18-21)31-15-13-28(33,14-16-31)23-5-3-2-4-6-23/h2-12,18-19,33H,13-17H2,1H3
InChIKeyYKMILWBDCCTKAG-UHFFFAOYSA-N
MW469.61 g/mol
LogP5.43
Rot. Bonds6

About 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone

2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 58431689) has the molecular formula C28H27N3O2S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID58431689
Molecular FormulaC28H27N3O2S
Molecular Weight469.61 g/mol
Exact Mass469.18
IUPAC Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCc1ccc(-c2nc(C(=O)Cc3ccc(N4CCC(O)(c5ccccc5)CC4)nc3)cs2)cc1
InChIInChI=1S/C28H27N3O2S/c1-20-7-10-22(11-8-20)27-30-24(19-34-27)25(32)17-21-9-12-26(29-18-21)31-15-13-28(33,14-16-31)23-5-3-2-4-6-23/h2-12,18-19,33H,13-17H2,1H3
InChIKeyYKMILWBDCCTKAG-UHFFFAOYSA-N
XLogP5.43
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.61
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone with MolForge

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Related Compounds

6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46202974
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58429209
N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 68245791
2-Fluoro-4-[2-[4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrol-2-yl]-2-oxoethyl]benzoic acid
CID 148864493
3-Fluoro-4-[2-[4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrol-2-yl]-2-oxoethyl]benzoic acid
CID 159636370
2-[4-Hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 56760249
4-[[[4-[6-[(4-Cyclohexylphenyl)methyl-methylamino]-3-pyridinyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid
CID 23023872
4-[[[4-[5-Chloro-6-[(4-cyclohexylphenyl)methyl-methylamino]-3-pyridinyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid
CID 23023902
N-(2-hydroxy-2,2-diphenylethyl)-4-(2-(pyridine-2-ylamino)thiazol-5-ylthio)picolinamide
CID 24958489
N-(2-hydroxy-2-phenylpentyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 24958490
4-[2-[5-[6-[(4-Methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]benzoic acid
CID 44177154
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 58431610

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone (CID 58431689) is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone is Cc1ccc(-c2nc(C(=O)Cc3ccc(N4CCC(O)(c5ccccc5)CC4)nc3)cs2)cc1.
What is the InChIKey of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is YKMILWBDCCTKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2S/c1-20-7-10-22(11-8-20)27-30-24(19-34-27)25(32)17-21-9-12-26(29-18-21)31-15-13-28(33,14-16-31)23-5-3-2-4-6-23/h2-12,18-19,33H,13-17H2,1H3.
What are the key properties of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 469.61 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 58431689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).