2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione

C14H17N3O2 — CID 117002769

IUPAC2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
SMILESCc1ccc(N2CC3CNCC(=O)N3CC2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-10-2-4-11(5-3-10)16-8-12-6-15-7-13(18)17(12)9-14(16)19/h2-5,12,15H,6-9H2,1H3
InChIKeyIEZDFAQKZSKALO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.14
Rot. Bonds1

About 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione

2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione (PubChem CID 117002769) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
PubChem CID117002769
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
SMILESCc1ccc(N2CC3CNCC(=O)N3CC2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-10-2-4-11(5-3-10)16-8-12-6-15-7-13(18)17(12)9-14(16)19/h2-5,12,15H,6-9H2,1H3
InChIKeyIEZDFAQKZSKALO-UHFFFAOYSA-N
XLogP0.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione with MolForge

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Related Compounds

2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
CID 117002775
ethane;1-(4-methylphenyl)piperazin-2-one
CID 142224264
1-(4-methylphenyl)piperazine-2,6-dione
CID 82112672
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-[4-(4-methylphenoxy)phenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670454
1-[4-(4-methylphenoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708858
4-ethynyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 168501132
4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70743002
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291
6-amino-1-(4-methylphenyl)azepan-2-one
CID 84683957
1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62303043

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
The IUPAC name of 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione (CID 117002769) is 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione.
What is the SMILES notation for 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
The canonical SMILES for 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione is Cc1ccc(N2CC3CNCC(=O)N3CC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
The InChIKey is IEZDFAQKZSKALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-2-4-11(5-3-10)16-8-12-6-15-7-13(18)17(12)9-14(16)19/h2-5,12,15H,6-9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione has a molecular weight of 259.31 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 117002769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).