(9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C15H15F2N3O4 — CID 95141406

IUPAC(9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1NCC(=O)N2CCN(Cc3ccc4c(c3)OC(F)(F)O4)C[C@H]12
InChIInChI=1S/C15H15F2N3O4/c16-15(17)23-11-2-1-9(5-12(11)24-15)7-19-3-4-20-10(8-19)14(22)18-6-13(20)21/h1-2,5,10H,3-4,6-8H2,(H,18,22)/t10-/m1/s1
InChIKeyHEOIUAFITGTOHW-SNVBAGLBSA-N
MW339.30 g/mol
LogP0.15
Rot. Bonds2

About (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 95141406) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID95141406
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC Name(9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1NCC(=O)N2CCN(Cc3ccc4c(c3)OC(F)(F)O4)C[C@H]12
InChIInChI=1S/C15H15F2N3O4/c16-15(17)23-11-2-1-9(5-12(11)24-15)7-19-3-4-20-10(8-19)14(22)18-6-13(20)21/h1-2,5,10H,3-4,6-8H2,(H,18,22)/t10-/m1/s1
InChIKeyHEOIUAFITGTOHW-SNVBAGLBSA-N
XLogP0.15
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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

Launch Full Analysis

Related Compounds

(9aS)-2-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95143453
(9aR)-2-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95122180
2-[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 167751876
2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 171398245
1-[[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 70737453
2-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50972250
cyclopropyl-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134702101
(3S,4S)-4-benzyl-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135112366
2-[(2-butyl-1-benzothiophen-3-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 166590415
7-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
CID 67536721
(3aR,7aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154811694
(1S,5R)-3-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid;2,2,2-trifluoroacetic acid
CID 171321422

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 95141406) is (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is O=C1NCC(=O)N2CCN(Cc3ccc4c(c3)OC(F)(F)O4)C[C@H]12.
What is the InChIKey of (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is HEOIUAFITGTOHW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c16-15(17)23-11-2-1-9(5-12(11)24-15)7-19-3-4-20-10(8-19)14(22)18-6-13(20)21/h1-2,5,10H,3-4,6-8H2,(H,18,22)/t10-/m1/s1.
What are the key properties of (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 339.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 95141406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).