(9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C17H21F2N3O2 — CID 95129390

IUPAC(9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)CCc3ccc(F)cc3F)C[C@@H]2C1=O
InChIInChI=1S/C17H21F2N3O2/c1-20-6-7-21-8-9-22(11-15(21)17(20)24)16(23)5-3-12-2-4-13(18)10-14(12)19/h2,4,10,15H,3,5-9,11H2,1H3/t15-/m1/s1
InChIKeyXJHCDZWCJMJCSA-OAHLLOKOSA-N
MW337.37 g/mol
LogP0.88
Rot. Bonds3

About (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

(9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 95129390) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID95129390
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name(9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)CCc3ccc(F)cc3F)C[C@@H]2C1=O
InChIInChI=1S/C17H21F2N3O2/c1-20-6-7-21-8-9-22(11-15(21)17(20)24)16(23)5-3-12-2-4-13(18)10-14(12)19/h2,4,10,15H,3,5-9,11H2,1H3/t15-/m1/s1
InChIKeyXJHCDZWCJMJCSA-OAHLLOKOSA-N
XLogP0.88
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

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8-methyl-2-(3-pyridin-2-ylpropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
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4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide
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CID 125162968
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methyl 4-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutanoate
CID 42381858
3-(2,4-difluorophenyl)-1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 95129390) is (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(C(=O)CCc3ccc(F)cc3F)C[C@@H]2C1=O.
What is the InChIKey of (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is XJHCDZWCJMJCSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-20-6-7-21-8-9-22(11-15(21)17(20)24)16(23)5-3-12-2-4-13(18)10-14(12)19/h2,4,10,15H,3,5-9,11H2,1H3/t15-/m1/s1.
What are the key properties of (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
(9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 337.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95129390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).