N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C26H28F3N5O3 — CID 46208786

IUPACN-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C26H28F3N5O3/c27-26(28,29)22-21(37-24(32-22)34-13-5-2-6-14-34)23(35)31-19-9-10-20(30-17-19)33-15-11-25(36,12-16-33)18-7-3-1-4-8-18/h1,3-4,7-10,17,36H,2,5-6,11-16H2,(H,31,35)
InChIKeyXLPJQSVODOJALR-UHFFFAOYSA-N
MW515.54 g/mol
LogP4.82
Rot. Bonds5

About N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46208786) has the molecular formula C26H28F3N5O3 and a molecular weight of 515.54 g/mol. Its IUPAC name is N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46208786
Molecular FormulaC26H28F3N5O3
Molecular Weight515.54 g/mol
Exact Mass515.21
IUPAC NameN-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C26H28F3N5O3/c27-26(28,29)22-21(37-24(32-22)34-13-5-2-6-14-34)23(35)31-19-9-10-20(30-17-19)33-15-11-25(36,12-16-33)18-7-3-1-4-8-18/h1,3-4,7-10,17,36H,2,5-6,11-16H2,(H,31,35)
InChIKeyXLPJQSVODOJALR-UHFFFAOYSA-N
XLogP4.82
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46208786) is N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is XLPJQSVODOJALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O3/c27-26(28,29)22-21(37-24(32-22)34-13-5-2-6-14-34)23(35)31-19-9-10-20(30-17-19)33-15-11-25(36,12-16-33)18-7-3-1-4-8-18/h1,3-4,7-10,17,36H,2,5-6,11-16H2,(H,31,35).
What are the key properties of N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 515.54 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46208786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).