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

C18H29N7O2 — CID 119067229

IUPAC4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCCc1nc(N2CCCC(c3nnc(CN4CCOCC4)n3C)C2)no1
InChIInChI=1S/C18H29N7O2/c1-3-5-16-19-18(22-27-16)25-7-4-6-14(12-25)17-21-20-15(23(17)2)13-24-8-10-26-11-9-24/h14H,3-13H2,1-2H3
InChIKeyWRHDCJPOFLFBGI-UHFFFAOYSA-N
MW375.48 g/mol
LogP1.37
Rot. Bonds6

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

4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 119067229) has the molecular formula C18H29N7O2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID119067229
Molecular FormulaC18H29N7O2
Molecular Weight375.48 g/mol
Exact Mass375.24
IUPAC Name4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCCc1nc(N2CCCC(c3nnc(CN4CCOCC4)n3C)C2)no1
InChIInChI=1S/C18H29N7O2/c1-3-5-16-19-18(22-27-16)25-7-4-6-14(12-25)17-21-20-15(23(17)2)13-24-8-10-26-11-9-24/h14H,3-13H2,1-2H3
InChIKeyWRHDCJPOFLFBGI-UHFFFAOYSA-N
XLogP1.37
TPSA85.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
4-[[5-[(3S)-1-cyclopentylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95885667
4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 126450339
4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70773391
4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95896019
4-[[5-[(3R)-1-(cyclopentylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95870224
4-[[4-methyl-5-[(3S)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95868982
2-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70756476
4-[[5-[(3R)-1-(2-ethylsulfanylethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95861997
4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70787358

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 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) is 4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is CCCc1nc(N2CCCC(c3nnc(CN4CCOCC4)n3C)C2)no1.
What is the InChIKey of 4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is WRHDCJPOFLFBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O2/c1-3-5-16-19-18(22-27-16)25-7-4-6-14(12-25)17-21-20-15(23(17)2)13-24-8-10-26-11-9-24/h14H,3-13H2,1-2H3.
What are the key properties of 4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 375.48 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 119067229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).