3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole

C10H17N3O — CID 50988080

IUPAC3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCNC2)no1
InChIInChI=1S/C10H17N3O/c1-7(2)10-12-9(13-14-10)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3
InChIKeyQHRQWYQHLSLMOO-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.66
Rot. Bonds2

About 3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole

3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 50988080) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID50988080
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCNC2)no1
InChIInChI=1S/C10H17N3O/c1-7(2)10-12-9(13-14-10)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3
InChIKeyQHRQWYQHLSLMOO-UHFFFAOYSA-N
XLogP1.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.66
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-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole (CID 50988080) is 3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(C2CCCNC2)no1.
What is the InChIKey of 3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is QHRQWYQHLSLMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)10-12-9(13-14-10)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole?
3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 50988080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).