3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C9H15N3O — CID 63123837

IUPAC3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2(C)CCNCC2)n1
InChIInChI=1S/C9H15N3O/c1-7-11-8(13-12-7)9(2)3-5-10-6-4-9/h10H,3-6H2,1-2H3
InChIKeyXPNWLCXGUBWJGX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.02
Rot. Bonds1

About 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 63123837) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID63123837
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2(C)CCNCC2)n1
InChIInChI=1S/C9H15N3O/c1-7-11-8(13-12-7)9(2)3-5-10-6-4-9/h10H,3-6H2,1-2H3
InChIKeyXPNWLCXGUBWJGX-UHFFFAOYSA-N
XLogP1.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 63123837) is 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is Cc1noc(C2(C)CCNCC2)n1.
What is the InChIKey of 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is XPNWLCXGUBWJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-11-8(13-12-7)9(2)3-5-10-6-4-9/h10H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63123837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).