5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole

C14H18N4O2 — CID 63871721

IUPAC5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(Cc2noc(COC3CCNCC3)n2)ccn1
InChIInChI=1S/C14H18N4O2/c1-5-15-6-2-11(1)9-13-17-14(20-18-13)10-19-12-3-7-16-8-4-12/h1-2,5-6,12,16H,3-4,7-10H2
InChIKeySQXXUKNQPAVBJP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.32
Rot. Bonds5

About 5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole

5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63871721) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID63871721
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(Cc2noc(COC3CCNCC3)n2)ccn1
InChIInChI=1S/C14H18N4O2/c1-5-15-6-2-11(1)9-13-17-14(20-18-13)10-19-12-3-7-16-8-4-12/h1-2,5-6,12,16H,3-4,7-10H2
InChIKeySQXXUKNQPAVBJP-UHFFFAOYSA-N
XLogP1.32
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole (CID 63871721) is 5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole is c1cc(Cc2noc(COC3CCNCC3)n2)ccn1.
What is the InChIKey of 5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is SQXXUKNQPAVBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-5-15-6-2-11(1)9-13-17-14(20-18-13)10-19-12-3-7-16-8-4-12/h1-2,5-6,12,16H,3-4,7-10H2.
What are the key properties of 5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 274.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63871721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).