[(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone

C20H19F3N6O2 — CID 86291879

IUPAC[(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)CN1C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C20H19F3N6O2/c1-13-6-7-15(31-18-10-14(8-9-24-18)20(21,22)23)11-28(13)19(30)16-4-2-3-5-17(16)29-26-12-25-27-29/h2-5,8-10,12-13,15H,6-7,11H2,1H3/t13-,15-/m1/s1
InChIKeyLTWMSKWPKRAWBB-UKRRQHHQSA-N
MW432.41 g/mol
LogP3.15
Rot. Bonds4

About [(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone

[(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone (PubChem CID 86291879) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
PubChem CID86291879
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name[(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)CN1C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C20H19F3N6O2/c1-13-6-7-15(31-18-10-14(8-9-24-18)20(21,22)23)11-28(13)19(30)16-4-2-3-5-17(16)29-26-12-25-27-29/h2-5,8-10,12-13,15H,6-7,11H2,1H3/t13-,15-/m1/s1
InChIKeyLTWMSKWPKRAWBB-UKRRQHHQSA-N
XLogP3.15
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone (CID 86291879) is [(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone is C[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)CN1C(=O)c1ccccc1-n1ncnn1.
What is the InChIKey of [(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone?
The InChIKey is LTWMSKWPKRAWBB-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-13-6-7-15(31-18-10-14(8-9-24-18)20(21,22)23)11-28(13)19(30)16-4-2-3-5-17(16)29-26-12-25-27-29/h2-5,8-10,12-13,15H,6-7,11H2,1H3/t13-,15-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone has a molecular weight of 432.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone is sourced from PubChem (CID 86291879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).