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

C18H31N5O2 — CID 70741208

IUPAC4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H31N5O2/c1-21-17(14-22-8-12-25-13-9-22)19-20-18(21)15-2-6-23(7-3-15)16-4-10-24-11-5-16/h15-16H,2-14H2,1H3
InChIKeyADILXDXPEUTMAP-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.01
Rot. Bonds4

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

4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70741208) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70741208
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H31N5O2/c1-21-17(14-22-8-12-25-13-9-22)19-20-18(21)15-2-6-23(7-3-15)16-4-10-24-11-5-16/h15-16H,2-14H2,1H3
InChIKeyADILXDXPEUTMAP-UHFFFAOYSA-N
XLogP1.01
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 70741208) is 4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is ADILXDXPEUTMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-21-17(14-22-8-12-25-13-9-22)19-20-18(21)15-2-6-23(7-3-15)16-4-10-24-11-5-16/h15-16H,2-14H2,1H3.
What are the key properties of 4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 349.48 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70741208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).