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

C18H29N7O — CID 70721007

IUPAC4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1ccnc1CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C18H29N7O/c1-22-8-5-19-16(22)13-24-6-3-15(4-7-24)18-21-20-17(23(18)2)14-25-9-11-26-12-10-25/h5,8,15H,3-4,6-7,9-14H2,1-2H3
InChIKeySTDVKUGKRMZZQK-UHFFFAOYSA-N
MW359.48 g/mol
LogP0.76
Rot. Bonds5

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

4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70721007) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70721007
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1ccnc1CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C18H29N7O/c1-22-8-5-19-16(22)13-24-6-3-15(4-7-24)18-21-20-17(23(18)2)14-25-9-11-26-12-10-25/h5,8,15H,3-4,6-7,9-14H2,1-2H3
InChIKeySTDVKUGKRMZZQK-UHFFFAOYSA-N
XLogP0.76
TPSA64.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 70721007) is 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cn1ccnc1CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1.
What is the InChIKey of 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is STDVKUGKRMZZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-22-8-5-19-16(22)13-24-6-3-15(4-7-24)18-21-20-17(23(18)2)14-25-9-11-26-12-10-25/h5,8,15H,3-4,6-7,9-14H2,1-2H3.
What are the key properties of 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 359.48 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70721007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).