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

C17H27N7O2 — CID 70777766

IUPAC4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCc1nc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)no1
InChIInChI=1S/C17H27N7O2/c1-3-15-18-17(21-26-15)24-6-4-13(5-7-24)16-20-19-14(22(16)2)12-23-8-10-25-11-9-23/h13H,3-12H2,1-2H3
InChIKeySJDYGYMBTSYMLG-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.98
Rot. Bonds5

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

4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70777766) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70777766
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC Name4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCc1nc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)no1
InChIInChI=1S/C17H27N7O2/c1-3-15-18-17(21-26-15)24-6-4-13(5-7-24)16-20-19-14(22(16)2)12-23-8-10-25-11-9-23/h13H,3-12H2,1-2H3
InChIKeySJDYGYMBTSYMLG-UHFFFAOYSA-N
XLogP0.98
TPSA85.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 119067229
4-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 70712761
4-[[4-methyl-5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70777110
4-[[4-methyl-5-[(3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95885484
4-[[5-[(3R)-1-ethylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95873162
cyclopropyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70766585
6-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 70748985
4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70776646
4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 72911931
3-ethyl-5-[[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126427715
4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70773391
4-[[5-[(3S)-1-cyclopentylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95885667

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 70777766) is 4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is CCc1nc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)no1.
What is the InChIKey of 4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is SJDYGYMBTSYMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-3-15-18-17(21-26-15)24-6-4-13(5-7-24)16-20-19-14(22(16)2)12-23-8-10-25-11-9-23/h13H,3-12H2,1-2H3.
What are the key properties of 4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 361.45 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70777766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).