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

C18H29N7O — CID 119071685

IUPAC4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1cnc(CN2CCCC(c3nnc(CN4CCOCC4)n3C)C2)[nH]1
InChIInChI=1S/C18H29N7O/c1-14-10-19-16(20-14)12-25-5-3-4-15(11-25)18-22-21-17(23(18)2)13-24-6-8-26-9-7-24/h10,15H,3-9,11-13H2,1-2H3,(H,19,20)
InChIKeyWYVWKPYMPRELQY-UHFFFAOYSA-N
MW359.48 g/mol
LogP1.06
Rot. Bonds5

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

4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 119071685) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID119071685
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1cnc(CN2CCCC(c3nnc(CN4CCOCC4)n3C)C2)[nH]1
InChIInChI=1S/C18H29N7O/c1-14-10-19-16(20-14)12-25-5-3-4-15(11-25)18-22-21-17(23(18)2)13-24-6-8-26-9-7-24/h10,15H,3-9,11-13H2,1-2H3,(H,19,20)
InChIKeyWYVWKPYMPRELQY-UHFFFAOYSA-N
XLogP1.06
TPSA75.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 119071685) is 4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cc1cnc(CN2CCCC(c3nnc(CN4CCOCC4)n3C)C2)[nH]1.
What is the InChIKey of 4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is WYVWKPYMPRELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-14-10-19-16(20-14)12-25-5-3-4-15(11-25)18-22-21-17(23(18)2)13-24-6-8-26-9-7-24/h10,15H,3-9,11-13H2,1-2H3,(H,19,20).
What are the key properties of 4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 359.48 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 119071685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).