5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole

C11H17N3O — CID 66709082

IUPAC5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C=C2CCNCC2)n1
InChIInChI=1S/C11H17N3O/c1-8(2)11-13-10(15-14-11)7-9-3-5-12-6-4-9/h7-8,12H,3-6H2,1-2H3
InChIKeyZYFJYUHEUTZYTQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.96
Rot. Bonds2

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

5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 66709082) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID66709082
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C=C2CCNCC2)n1
InChIInChI=1S/C11H17N3O/c1-8(2)11-13-10(15-14-11)7-9-3-5-12-6-4-9/h7-8,12H,3-6H2,1-2H3
InChIKeyZYFJYUHEUTZYTQ-UHFFFAOYSA-N
XLogP1.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole (CID 66709082) is 5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(C=C2CCNCC2)n1.
What is the InChIKey of 5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is ZYFJYUHEUTZYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)11-13-10(15-14-11)7-9-3-5-12-6-4-9/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylidenemethyl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 66709082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).