2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole

C10H17N3O — CID 125457953

IUPAC2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2C[C@@H](C)N[C@@H](C)C2)o1
InChIInChI=1S/C10H17N3O/c1-6-4-9(5-7(2)11-6)10-13-12-8(3)14-10/h6-7,9,11H,4-5H2,1-3H3/t6-,7+,9?
InChIKeyRZJSSZZSSCZAIY-AVSFMBPQSA-N
MW195.27 g/mol
LogP1.62
Rot. Bonds1

About 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole

2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 125457953) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID125457953
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2C[C@@H](C)N[C@@H](C)C2)o1
InChIInChI=1S/C10H17N3O/c1-6-4-9(5-7(2)11-6)10-13-12-8(3)14-10/h6-7,9,11H,4-5H2,1-3H3/t6-,7+,9?
InChIKeyRZJSSZZSSCZAIY-AVSFMBPQSA-N
XLogP1.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole (CID 125457953) is 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(C2C[C@@H](C)N[C@@H](C)C2)o1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is RZJSSZZSSCZAIY-AVSFMBPQSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6-4-9(5-7(2)11-6)10-13-12-8(3)14-10/h6-7,9,11H,4-5H2,1-3H3/t6-,7+,9?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole?
2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 125457953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).