4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine

C20H31N7O — CID 126450339

IUPAC4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1nc(C)c(C)c(N2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)n1
InChIInChI=1S/C20H31N7O/c1-14-15(2)21-16(3)22-19(14)27-7-5-6-17(12-27)20-24-23-18(25(20)4)13-26-8-10-28-11-9-26/h17H,5-13H2,1-4H3/t17-/m1/s1
InChIKeyRITLLLKPJFQDFA-QGZVFWFLSA-N
MW385.52 g/mol
LogP1.75
Rot. Bonds4

About 4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine

4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 126450339) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is 4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID126450339
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC Name4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1nc(C)c(C)c(N2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)n1
InChIInChI=1S/C20H31N7O/c1-14-15(2)21-16(3)22-19(14)27-7-5-6-17(12-27)20-24-23-18(25(20)4)13-26-8-10-28-11-9-26/h17H,5-13H2,1-4H3/t17-/m1/s1
InChIKeyRITLLLKPJFQDFA-QGZVFWFLSA-N
XLogP1.75
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,4,5-trimethyl-6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 95868121
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-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-[(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-(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-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
CID 95868132
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-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70787358
6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95867996
4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70773391

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 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) is 4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cc1nc(C)c(C)c(N2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)n1.
What is the InChIKey of 4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is RITLLLKPJFQDFA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N7O/c1-14-15(2)21-16(3)22-19(14)27-7-5-6-17(12-27)20-24-23-18(25(20)4)13-26-8-10-28-11-9-26/h17H,5-13H2,1-4H3/t17-/m1/s1.
What are the key properties of 4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 385.52 g/mol, XLogP of 1.75, 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-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 126450339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).