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

C26H24N4O2S — CID 58431610

IUPAC2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C26H24N4O2S/c31-23(22-18-33-25(29-22)20-8-12-27-13-9-20)16-19-6-7-24(28-17-19)30-14-10-26(32,11-15-30)21-4-2-1-3-5-21/h1-9,12-13,17-18,32H,10-11,14-16H2
InChIKeyIOHLEAWCOKVYQF-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.51
Rot. Bonds6

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

2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 58431610) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
PubChem CID58431610
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C26H24N4O2S/c31-23(22-18-33-25(29-22)20-8-12-27-13-9-20)16-19-6-7-24(28-17-19)30-14-10-26(32,11-15-30)21-4-2-1-3-5-21/h1-9,12-13,17-18,32H,10-11,14-16H2
InChIKeyIOHLEAWCOKVYQF-UHFFFAOYSA-N
XLogP4.51
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-[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
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
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 58431611
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-5-yl)ethanone
CID 58431621
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 58431641
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-phenylthiophen-2-yl)ethanone
CID 58431652
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 58431655
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(5-phenylthiophen-2-yl)ethanone
CID 58431679

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone (CID 58431610) is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2ccncc2)n1.
What is the InChIKey of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is IOHLEAWCOKVYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c31-23(22-18-33-25(29-22)20-8-12-27-13-9-20)16-19-6-7-24(28-17-19)30-14-10-26(32,11-15-30)21-4-2-1-3-5-21/h1-9,12-13,17-18,32H,10-11,14-16H2.
What are the key properties of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 456.57 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 58431610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).