3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one

C26H31N3O — CID 173069777

IUPAC3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one
SMILESCC(C)Cc1nc(-c2ccccc2)c(-c2ccc(CN3CCCCC3)cc2)[nH]c1=O
InChIInChI=1S/C26H31N3O/c1-19(2)17-23-26(30)28-25(24(27-23)21-9-5-3-6-10-21)22-13-11-20(12-14-22)18-29-15-7-4-8-16-29/h3,5-6,9-14,19H,4,7-8,15-18H2,1-2H3,(H,28,30)
InChIKeyZIKNUWWCFXOFGL-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.29
Rot. Bonds6

About 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one

3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one (PubChem CID 173069777) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one
PubChem CID173069777
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one
SMILESCC(C)Cc1nc(-c2ccccc2)c(-c2ccc(CN3CCCCC3)cc2)[nH]c1=O
InChIInChI=1S/C26H31N3O/c1-19(2)17-23-26(30)28-25(24(27-23)21-9-5-3-6-10-21)22-13-11-20(12-14-22)18-29-15-7-4-8-16-29/h3,5-6,9-14,19H,4,7-8,15-18H2,1-2H3,(H,28,30)
InChIKeyZIKNUWWCFXOFGL-UHFFFAOYSA-N
XLogP5.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one?
The IUPAC name of 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one (CID 173069777) is 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one is CC(C)Cc1nc(-c2ccccc2)c(-c2ccc(CN3CCCCC3)cc2)[nH]c1=O.
What is the InChIKey of 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one?
The InChIKey is ZIKNUWWCFXOFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-19(2)17-23-26(30)28-25(24(27-23)21-9-5-3-6-10-21)22-13-11-20(12-14-22)18-29-15-7-4-8-16-29/h3,5-6,9-14,19H,4,7-8,15-18H2,1-2H3,(H,28,30).
What are the key properties of 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one?
3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one has a molecular weight of 401.55 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 173069777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).