4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine

C12H20N4O2 — CID 114425032

IUPAC4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC1CCNC(c2nc(N3CCOCC3)no2)C1
InChIInChI=1S/C12H20N4O2/c1-9-2-3-13-10(8-9)11-14-12(15-18-11)16-4-6-17-7-5-16/h9-10,13H,2-8H2,1H3
InChIKeyYGONQEVUMSNVHT-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.97
Rot. Bonds2

About 4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine

4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 114425032) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID114425032
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC1CCNC(c2nc(N3CCOCC3)no2)C1
InChIInChI=1S/C12H20N4O2/c1-9-2-3-13-10(8-9)11-14-12(15-18-11)16-4-6-17-7-5-16/h9-10,13H,2-8H2,1H3
InChIKeyYGONQEVUMSNVHT-UHFFFAOYSA-N
XLogP0.97
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 22361901
4-[5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807491
3-(2,2-dimethylcyclopropyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107925074
4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807444
3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915206
3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743714
3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743713
5-(azepan-2-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazole
CID 116807687
4-[5-(2,3-dihydro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807439
3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424842
5-(4-methylpiperidin-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 114424820
3-(2-methyl-1,3-oxazol-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114282534

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 114425032) is 4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine is CC1CCNC(c2nc(N3CCOCC3)no2)C1.
What is the InChIKey of 4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is YGONQEVUMSNVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-2-3-13-10(8-9)11-14-12(15-18-11)16-4-6-17-7-5-16/h9-10,13H,2-8H2,1H3.
What are the key properties of 4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 252.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 114425032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).