3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one

C22H24N4O2 — CID 11234243

IUPAC3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
SMILESNc1nc(-c2cc(Cc3ccccc3)ccc2O)cn(C2CCCNC2)c1=O
InChIInChI=1S/C22H24N4O2/c23-21-22(28)26(17-7-4-10-24-13-17)14-19(25-21)18-12-16(8-9-20(18)27)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,14,17,24,27H,4,7,10-11,13H2,(H2,23,25)
InChIKeySBXCHHQNBHZYHX-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.71
Rot. Bonds4

About 3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one

3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one (PubChem CID 11234243) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one.

Molecular Properties

Compound Name3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
PubChem CID11234243
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
SMILESNc1nc(-c2cc(Cc3ccccc3)ccc2O)cn(C2CCCNC2)c1=O
InChIInChI=1S/C22H24N4O2/c23-21-22(28)26(17-7-4-10-24-13-17)14-19(25-21)18-12-16(8-9-20(18)27)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,14,17,24,27H,4,7,10-11,13H2,(H2,23,25)
InChIKeySBXCHHQNBHZYHX-UHFFFAOYSA-N
XLogP2.71
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one?
The IUPAC name of 3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one (CID 11234243) is 3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one.
What is the SMILES notation for 3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one?
The canonical SMILES for 3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one is Nc1nc(-c2cc(Cc3ccccc3)ccc2O)cn(C2CCCNC2)c1=O.
What is the InChIKey of 3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one?
The InChIKey is SBXCHHQNBHZYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-21-22(28)26(17-7-4-10-24-13-17)14-19(25-21)18-12-16(8-9-20(18)27)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,14,17,24,27H,4,7,10-11,13H2,(H2,23,25).
What are the key properties of 3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one?
3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one is sourced from PubChem (CID 11234243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).