2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole

C16H22N4O — CID 71793464

IUPAC2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C2CCN(Cc3ccccn3)CC2)o1
InChIInChI=1S/C16H22N4O/c1-12(2)15-18-19-16(21-15)13-6-9-20(10-7-13)11-14-5-3-4-8-17-14/h3-5,8,12-13H,6-7,9-11H2,1-2H3
InChIKeyAWZGUDPSGRZYKZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.97
Rot. Bonds4

About 2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole

2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 71793464) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID71793464
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C2CCN(Cc3ccccn3)CC2)o1
InChIInChI=1S/C16H22N4O/c1-12(2)15-18-19-16(21-15)13-6-9-20(10-7-13)11-14-5-3-4-8-17-14/h3-5,8,12-13H,6-7,9-11H2,1-2H3
InChIKeyAWZGUDPSGRZYKZ-UHFFFAOYSA-N
XLogP2.97
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole (CID 71793464) is 2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole is CC(C)c1nnc(C2CCN(Cc3ccccn3)CC2)o1.
What is the InChIKey of 2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is AWZGUDPSGRZYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)15-18-19-16(21-15)13-6-9-20(10-7-13)11-14-5-3-4-8-17-14/h3-5,8,12-13H,6-7,9-11H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 286.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 71793464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).