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

C17H23N3O — CID 2943663

IUPAC5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3C(C)CCCC3C)n2)cc1
InChIInChI=1S/C17H23N3O/c1-12-7-9-15(10-8-12)17-18-16(21-19-17)11-20-13(2)5-4-6-14(20)3/h7-10,13-14H,4-6,11H2,1-3H3
InChIKeyCQUMGLVPEKJJSI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds3

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

5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 2943663) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID2943663
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3C(C)CCCC3C)n2)cc1
InChIInChI=1S/C17H23N3O/c1-12-7-9-15(10-8-12)17-18-16(21-19-17)11-20-13(2)5-4-6-14(20)3/h7-10,13-14H,4-6,11H2,1-3H3
InChIKeyCQUMGLVPEKJJSI-UHFFFAOYSA-N
XLogP3.81
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 2943663) is 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CN3C(C)CCCC3C)n2)cc1.
What is the InChIKey of 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is CQUMGLVPEKJJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-7-9-15(10-8-12)17-18-16(21-19-17)11-20-13(2)5-4-6-14(20)3/h7-10,13-14H,4-6,11H2,1-3H3.
What are the key properties of 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 285.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2943663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).