3-piperidin-3-yl-1,2,4-oxadiazole

C7H11N3O — CID 62388811

IUPAC3-piperidin-3-yl-1,2,4-oxadiazole
SMILESc1nc(C2CCCNC2)no1
InChIInChI=1S/C7H11N3O/c1-2-6(4-8-3-1)7-9-5-11-10-7/h5-6,8H,1-4H2
InChIKeyFAPUBBZZFHTOQQ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.54
Rot. Bonds1

About 3-piperidin-3-yl-1,2,4-oxadiazole

3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 62388811) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID62388811
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-piperidin-3-yl-1,2,4-oxadiazole
SMILESc1nc(C2CCCNC2)no1
InChIInChI=1S/C7H11N3O/c1-2-6(4-8-3-1)7-9-5-11-10-7/h5-6,8H,1-4H2
InChIKeyFAPUBBZZFHTOQQ-UHFFFAOYSA-N
XLogP0.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-3-yl-1,2,4-oxadiazole (CID 62388811) is 3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-3-yl-1,2,4-oxadiazole is c1nc(C2CCCNC2)no1.
What is the InChIKey of 3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is FAPUBBZZFHTOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-6(4-8-3-1)7-9-5-11-10-7/h5-6,8H,1-4H2.
What are the key properties of 3-piperidin-3-yl-1,2,4-oxadiazole?
3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 153.19 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 62388811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).