2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C27H29F3N4O2S — CID 58429209

IUPAC2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C27H29F3N4O2S/c28-27(29,30)24-23(37-25(32-24)34-13-5-2-6-14-34)21(35)17-19-9-10-22(31-18-19)33-15-11-26(36,12-16-33)20-7-3-1-4-8-20/h1,3-4,7-10,18,36H,2,5-6,11-17H2
InChIKeyVFFKEQNSDBNLRW-UHFFFAOYSA-N
MW530.62 g/mol
LogP5.46
Rot. Bonds6

About 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 58429209) has the molecular formula C27H29F3N4O2S and a molecular weight of 530.62 g/mol. Its IUPAC name is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID58429209
Molecular FormulaC27H29F3N4O2S
Molecular Weight530.62 g/mol
Exact Mass530.20
IUPAC Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C27H29F3N4O2S/c28-27(29,30)24-23(37-25(32-24)34-13-5-2-6-14-34)21(35)17-19-9-10-22(31-18-19)33-15-11-26(36,12-16-33)20-7-3-1-4-8-20/h1,3-4,7-10,18,36H,2,5-6,11-17H2
InChIKeyVFFKEQNSDBNLRW-UHFFFAOYSA-N
XLogP5.46
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[[4-(4,4-Difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
CID 15980472
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-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58428494
Ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate
CID 58428518
2-(6-Morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58428537
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-pentyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58428612
Tert-butyl 4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 58428697
2-[4-[5-[2-Oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]acetic acid
CID 58428790
N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide
CID 58428865
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58428885
2-[6-(4-Phenylpiperazin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58428982
2-(6-Phenyl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58429130

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 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) is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is O=C(Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is VFFKEQNSDBNLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O2S/c28-27(29,30)24-23(37-25(32-24)34-13-5-2-6-14-34)21(35)17-19-9-10-22(31-18-19)33-15-11-26(36,12-16-33)20-7-3-1-4-8-20/h1,3-4,7-10,18,36H,2,5-6,11-17H2.
What are the key properties of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 530.62 g/mol, XLogP of 5.46, 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-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 58429209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).