3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine

C18H26N4O — CID 84593884

IUPAC3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine
SMILESc1cn2c(CN3CCC(OC4CCCCC4)CC3)cnc2cn1
InChIInChI=1S/C18H26N4O/c1-2-4-16(5-3-1)23-17-6-9-21(10-7-17)14-15-12-20-18-13-19-8-11-22(15)18/h8,11-13,16-17H,1-7,9-10,14H2
InChIKeySAULWWBOZIHEIS-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.04
Rot. Bonds4

About 3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine

3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine (PubChem CID 84593884) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine
PubChem CID84593884
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine
SMILESc1cn2c(CN3CCC(OC4CCCCC4)CC3)cnc2cn1
InChIInChI=1S/C18H26N4O/c1-2-4-16(5-3-1)23-17-6-9-21(10-7-17)14-15-12-20-18-13-19-8-11-22(15)18/h8,11-13,16-17H,1-7,9-10,14H2
InChIKeySAULWWBOZIHEIS-UHFFFAOYSA-N
XLogP3.04
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine (CID 84593884) is 3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine is c1cn2c(CN3CCC(OC4CCCCC4)CC3)cnc2cn1.
What is the InChIKey of 3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine?
The InChIKey is SAULWWBOZIHEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-4-16(5-3-1)23-17-6-9-21(10-7-17)14-15-12-20-18-13-19-8-11-22(15)18/h8,11-13,16-17H,1-7,9-10,14H2.
What are the key properties of 3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine?
3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine has a molecular weight of 314.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexyloxypiperidin-1-yl)methyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 84593884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).