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

C27H25N3O2S — CID 58431655

IUPAC2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C27H25N3O2S/c31-24(23-19-33-26(29-23)21-7-3-1-4-8-21)17-20-11-12-25(28-18-20)30-15-13-27(32,14-16-30)22-9-5-2-6-10-22/h1-12,18-19,32H,13-17H2
InChIKeyFAXDTDMEJDTTHE-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.12
Rot. Bonds6

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

2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone (PubChem CID 58431655) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
PubChem CID58431655
Molecular FormulaC27H25N3O2S
Molecular Weight455.58 g/mol
Exact Mass455.17
IUPAC Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C27H25N3O2S/c31-24(23-19-33-26(29-23)21-7-3-1-4-8-21)17-20-11-12-25(28-18-20)30-15-13-27(32,14-16-30)22-9-5-2-6-10-22/h1-12,18-19,32H,13-17H2
InChIKeyFAXDTDMEJDTTHE-UHFFFAOYSA-N
XLogP5.12
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-fluoro-N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 24958113
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
N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide
CID 168957968
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
1-[2-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 58431605
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 58431610
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 58431611

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone (CID 58431655) is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone is O=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is FAXDTDMEJDTTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S/c31-24(23-19-33-26(29-23)21-7-3-1-4-8-21)17-20-11-12-25(28-18-20)30-15-13-27(32,14-16-30)22-9-5-2-6-10-22/h1-12,18-19,32H,13-17H2.
What are the key properties of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone?
2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(2-phenyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 455.58 g/mol, XLogP of 5.12, 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-phenyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 58431655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).