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

C11H19N3O — CID 51074717

IUPAC2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC(C)CC2)o1
InChIInChI=1S/C11H19N3O/c1-3-10-12-13-11(15-10)8-14-6-4-9(2)5-7-14/h9H,3-8H2,1-2H3
InChIKeyHZGQXPCRIMEAOJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds3

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

2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 51074717) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID51074717
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC(C)CC2)o1
InChIInChI=1S/C11H19N3O/c1-3-10-12-13-11(15-10)8-14-6-4-9(2)5-7-14/h9H,3-8H2,1-2H3
InChIKeyHZGQXPCRIMEAOJ-UHFFFAOYSA-N
XLogP1.86
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 51074717) is 2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CCC(C)CC2)o1.
What is the InChIKey of 2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is HZGQXPCRIMEAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-10-12-13-11(15-10)8-14-6-4-9(2)5-7-14/h9H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 51074717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).