2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione

C22H23N3O3 — CID 85064927

IUPAC2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione
SMILESCC1C(=O)N(Cc2ccccc2)CC2C(=O)N(Cc3ccccc3)CC(=O)N12
InChIInChI=1S/C22H23N3O3/c1-16-21(27)23(12-17-8-4-2-5-9-17)14-19-22(28)24(15-20(26)25(16)19)13-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyMZWIQPARYCSVQQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.66
Rot. Bonds4

About 2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione

2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione (PubChem CID 85064927) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione.

Molecular Properties

Compound Name2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione
PubChem CID85064927
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione
SMILESCC1C(=O)N(Cc2ccccc2)CC2C(=O)N(Cc3ccccc3)CC(=O)N12
InChIInChI=1S/C22H23N3O3/c1-16-21(27)23(12-17-8-4-2-5-9-17)14-19-22(28)24(15-20(26)25(16)19)13-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyMZWIQPARYCSVQQ-UHFFFAOYSA-N
XLogP1.66
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-benzyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 44827800
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CID 165420575
(3R,8aR)-7-benzyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
CID 101131885
(11aS)-2-benzyl-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
CID 905966
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
CID 11772039
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3S)-1,4,7-tribenzyl-3-methyl-10-prop-2-ynyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 177116281

Frequently Asked Questions

What is the IUPAC name of 2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione?
The IUPAC name of 2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione (CID 85064927) is 2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione.
What is the SMILES notation for 2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione?
The canonical SMILES for 2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione is CC1C(=O)N(Cc2ccccc2)CC2C(=O)N(Cc3ccccc3)CC(=O)N12.
What is the InChIKey of 2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione?
The InChIKey is MZWIQPARYCSVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-21(27)23(12-17-8-4-2-5-9-17)14-19-22(28)24(15-20(26)25(16)19)13-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3.
What are the key properties of 2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione?
2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione has a molecular weight of 377.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione is sourced from PubChem (CID 85064927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).