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

C20H28N4O3 — CID 120840405

IUPAC4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
SMILESCOCC1(c2nc(-c3cccc(CN4CCOCC4)c3)no2)CCNCC1
InChIInChI=1S/C20H28N4O3/c1-25-15-20(5-7-21-8-6-20)19-22-18(23-27-19)17-4-2-3-16(13-17)14-24-9-11-26-12-10-24/h2-4,13,21H,5-12,14-15H2,1H3
InChIKeyNEBUHCVLDYJKKR-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.84
Rot. Bonds6

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

4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (PubChem CID 120840405) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
PubChem CID120840405
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
SMILESCOCC1(c2nc(-c3cccc(CN4CCOCC4)c3)no2)CCNCC1
InChIInChI=1S/C20H28N4O3/c1-25-15-20(5-7-21-8-6-20)19-22-18(23-27-19)17-4-2-3-16(13-17)14-24-9-11-26-12-10-24/h2-4,13,21H,5-12,14-15H2,1H3
InChIKeyNEBUHCVLDYJKKR-UHFFFAOYSA-N
XLogP1.84
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (CID 120840405) is 4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is COCC1(c2nc(-c3cccc(CN4CCOCC4)c3)no2)CCNCC1.
What is the InChIKey of 4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The InChIKey is NEBUHCVLDYJKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-25-15-20(5-7-21-8-6-20)19-22-18(23-27-19)17-4-2-3-16(13-17)14-24-9-11-26-12-10-24/h2-4,13,21H,5-12,14-15H2,1H3.
What are the key properties of 4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine has a molecular weight of 372.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 120840405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).