3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole

C15H25N3O3 — CID 86820614

IUPAC3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESC1CNCC(c2nc(CCOCC3CCOCC3)no2)C1
InChIInChI=1S/C15H25N3O3/c1-2-13(10-16-6-1)15-17-14(18-21-15)5-9-20-11-12-3-7-19-8-4-12/h12-13,16H,1-11H2
InChIKeyNPXMYRYSYJLNHM-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.52
Rot. Bonds6

About 3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole

3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 86820614) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID86820614
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESC1CNCC(c2nc(CCOCC3CCOCC3)no2)C1
InChIInChI=1S/C15H25N3O3/c1-2-13(10-16-6-1)15-17-14(18-21-15)5-9-20-11-12-3-7-19-8-4-12/h12-13,16H,1-11H2
InChIKeyNPXMYRYSYJLNHM-UHFFFAOYSA-N
XLogP1.52
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole (CID 86820614) is 3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole is C1CNCC(c2nc(CCOCC3CCOCC3)no2)C1.
What is the InChIKey of 3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is NPXMYRYSYJLNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-13(10-16-6-1)15-17-14(18-21-15)5-9-20-11-12-3-7-19-8-4-12/h12-13,16H,1-11H2.
What are the key properties of 3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 295.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-ylmethoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86820614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).