(3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

C14H15F3N4O4 — CID 171557987

IUPAC(3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESCc1nnc(N2C[C@H](Oc3cccc(C(F)(F)F)n3)[C@@H](O)[C@@H](O)C2)o1
InChIInChI=1S/C14H15F3N4O4/c1-7-19-20-13(24-7)21-5-8(22)12(23)9(6-21)25-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12,22-23H,5-6H2,1H3/t8-,9-,12-/m0/s1
InChIKeyLJIQFXPHAVSVLF-AUTRQRHGSA-N
MW360.29 g/mol
LogP0.78
Rot. Bonds3

About (3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

(3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (PubChem CID 171557987) has the molecular formula C14H15F3N4O4 and a molecular weight of 360.29 g/mol. Its IUPAC name is (3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
PubChem CID171557987
Molecular FormulaC14H15F3N4O4
Molecular Weight360.29 g/mol
Exact Mass360.10
IUPAC Name(3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESCc1nnc(N2C[C@H](Oc3cccc(C(F)(F)F)n3)[C@@H](O)[C@@H](O)C2)o1
InChIInChI=1S/C14H15F3N4O4/c1-7-19-20-13(24-7)21-5-8(22)12(23)9(6-21)25-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12,22-23H,5-6H2,1H3/t8-,9-,12-/m0/s1
InChIKeyLJIQFXPHAVSVLF-AUTRQRHGSA-N
XLogP0.78
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (CID 171557987) is (3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is Cc1nnc(N2C[C@H](Oc3cccc(C(F)(F)F)n3)[C@@H](O)[C@@H](O)C2)o1.
What is the InChIKey of (3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The InChIKey is LJIQFXPHAVSVLF-AUTRQRHGSA-N. The full InChI is InChI=1S/C14H15F3N4O4/c1-7-19-20-13(24-7)21-5-8(22)12(23)9(6-21)25-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12,22-23H,5-6H2,1H3/t8-,9-,12-/m0/s1.
What are the key properties of (3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
(3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol has a molecular weight of 360.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is sourced from PubChem (CID 171557987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).