5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C21H21F3N4O2 — CID 42216216

IUPAC5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(CN3CCC(OCc4ccccn4)CC3)n2)cc1
InChIInChI=1S/C21H21F3N4O2/c22-21(23,24)16-6-4-15(5-7-16)20-26-19(30-27-20)13-28-11-8-18(9-12-28)29-14-17-3-1-2-10-25-17/h1-7,10,18H,8-9,11-14H2
InChIKeyBHNHIVDPJITOBY-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.33
Rot. Bonds6

About 5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 42216216) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID42216216
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(CN3CCC(OCc4ccccn4)CC3)n2)cc1
InChIInChI=1S/C21H21F3N4O2/c22-21(23,24)16-6-4-15(5-7-16)20-26-19(30-27-20)13-28-11-8-18(9-12-28)29-14-17-3-1-2-10-25-17/h1-7,10,18H,8-9,11-14H2
InChIKeyBHNHIVDPJITOBY-UHFFFAOYSA-N
XLogP4.33
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 42216216) is 5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(CN3CCC(OCc4ccccn4)CC3)n2)cc1.
What is the InChIKey of 5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is BHNHIVDPJITOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c22-21(23,24)16-6-4-15(5-7-16)20-26-19(30-27-20)13-28-11-8-18(9-12-28)29-14-17-3-1-2-10-25-17/h1-7,10,18H,8-9,11-14H2.
What are the key properties of 5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 418.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42216216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).