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

C18H27N7O — CID 95896019

IUPAC4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1nccc(N2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n1
InChIInChI=1S/C18H27N7O/c1-14-19-6-5-16(20-14)25-7-3-4-15(12-25)18-22-21-17(23(18)2)13-24-8-10-26-11-9-24/h5-6,15H,3-4,7-13H2,1-2H3/t15-/m0/s1
InChIKeyWFIFXQXYIZMHES-HNNXBMFYSA-N
MW357.46 g/mol
LogP1.13
Rot. Bonds4

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

4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 95896019) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID95896019
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1nccc(N2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n1
InChIInChI=1S/C18H27N7O/c1-14-19-6-5-16(20-14)25-7-3-4-15(12-25)18-22-21-17(23(18)2)13-24-8-10-26-11-9-24/h5-6,15H,3-4,7-13H2,1-2H3/t15-/m0/s1
InChIKeyWFIFXQXYIZMHES-HNNXBMFYSA-N
XLogP1.13
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95867996
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-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70719999
4-[[5-[(3R)-1-ethylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95873162
4-[[4-methyl-5-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70766412
4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95874854
4-[[5-[(3S)-1-cyclopentylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95885667
2-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70756476
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
2-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95895687
5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95873641
4-[[5-[(3R)-1-(cyclopentylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95870224

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 95896019) is 4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cc1nccc(N2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n1.
What is the InChIKey of 4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is WFIFXQXYIZMHES-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-14-19-6-5-16(20-14)25-7-3-4-15(12-25)18-22-21-17(23(18)2)13-24-8-10-26-11-9-24/h5-6,15H,3-4,7-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 357.46 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 95896019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).