4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

C18H24N4O2 — CID 46961857

IUPAC4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESc1cc(N2CCCCC2)ccc1-c1noc(CN2CCOCC2)n1
InChIInChI=1S/C18H24N4O2/c1-2-8-22(9-3-1)16-6-4-15(5-7-16)18-19-17(24-20-18)14-21-10-12-23-13-11-21/h4-7H,1-3,8-14H2
InChIKeyCHGGEJGABYMUJM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.56
Rot. Bonds4

About 4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 46961857) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID46961857
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESc1cc(N2CCCCC2)ccc1-c1noc(CN2CCOCC2)n1
InChIInChI=1S/C18H24N4O2/c1-2-8-22(9-3-1)16-6-4-15(5-7-16)18-19-17(24-20-18)14-21-10-12-23-13-11-21/h4-7H,1-3,8-14H2
InChIKeyCHGGEJGABYMUJM-UHFFFAOYSA-N
XLogP2.56
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 46961857) is 4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is c1cc(N2CCCCC2)ccc1-c1noc(CN2CCOCC2)n1.
What is the InChIKey of 4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is CHGGEJGABYMUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-8-22(9-3-1)16-6-4-15(5-7-16)18-19-17(24-20-18)14-21-10-12-23-13-11-21/h4-7H,1-3,8-14H2.
What are the key properties of 4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 328.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 46961857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).