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

C13H22N4O2 — CID 79078452

IUPAC4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCN1CCOC(c2noc(CC3CCCNC3)n2)C1
InChIInChI=1S/C13H22N4O2/c1-17-5-6-18-11(9-17)13-15-12(19-16-13)7-10-3-2-4-14-8-10/h10-11,14H,2-9H2,1H3
InChIKeyTVTDYRIDJSPSCF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.61
Rot. Bonds3

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

4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 79078452) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID79078452
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCN1CCOC(c2noc(CC3CCCNC3)n2)C1
InChIInChI=1S/C13H22N4O2/c1-17-5-6-18-11(9-17)13-15-12(19-16-13)7-10-3-2-4-14-8-10/h10-11,14H,2-9H2,1H3
InChIKeyTVTDYRIDJSPSCF-UHFFFAOYSA-N
XLogP0.61
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 79078452) is 4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine is CN1CCOC(c2noc(CC3CCCNC3)n2)C1.
What is the InChIKey of 4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is TVTDYRIDJSPSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17-5-6-18-11(9-17)13-15-12(19-16-13)7-10-3-2-4-14-8-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 266.34 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 79078452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).