3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole

C9H15N3O2 — CID 62339041

IUPAC3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole
SMILESc1nc(COCC2CCNCC2)no1
InChIInChI=1S/C9H15N3O2/c1-3-10-4-2-8(1)5-13-6-9-11-7-14-12-9/h7-8,10H,1-6H2
InChIKeyHULDQLFCHJBAKG-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.59
Rot. Bonds4

About 3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole

3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole (PubChem CID 62339041) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole
PubChem CID62339041
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole
SMILESc1nc(COCC2CCNCC2)no1
InChIInChI=1S/C9H15N3O2/c1-3-10-4-2-8(1)5-13-6-9-11-7-14-12-9/h7-8,10H,1-6H2
InChIKeyHULDQLFCHJBAKG-UHFFFAOYSA-N
XLogP0.59
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole (CID 62339041) is 3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole is c1nc(COCC2CCNCC2)no1.
What is the InChIKey of 3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is HULDQLFCHJBAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-10-4-2-8(1)5-13-6-9-11-7-14-12-9/h7-8,10H,1-6H2.
What are the key properties of 3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole?
3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 197.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62339041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).