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

C17H23N3O3 — CID 95123237

IUPAC(9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)CCOc3ccccc3)C[C@@H]2C1=O
InChIInChI=1S/C17H23N3O3/c1-18-8-9-19-10-11-20(13-15(19)17(18)22)16(21)7-12-23-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3/t15-/m1/s1
InChIKeyKWNFSDAWHXZDNJ-OAHLLOKOSA-N
MW317.39 g/mol
LogP0.44
Rot. Bonds4

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

(9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 95123237) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID95123237
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C(=O)CCOc3ccccc3)C[C@@H]2C1=O
InChIInChI=1S/C17H23N3O3/c1-18-8-9-19-10-11-20(13-15(19)17(18)22)16(21)7-12-23-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3/t15-/m1/s1
InChIKeyKWNFSDAWHXZDNJ-OAHLLOKOSA-N
XLogP0.44
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95143312
8-methyl-2-(3-pyridin-2-ylpropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50961999
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide
CID 95132863
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
CID 81458301
(9aR)-2-[3-(2,4-difluorophenyl)propanoyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95129390
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-phenoxybutan-1-one
CID 27473703

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 95123237) is (9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(C(=O)CCOc3ccccc3)C[C@@H]2C1=O.
What is the InChIKey of (9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is KWNFSDAWHXZDNJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-18-8-9-19-10-11-20(13-15(19)17(18)22)16(21)7-12-23-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3/t15-/m1/s1.
What are the key properties of (9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
(9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 317.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-methyl-2-(3-phenoxypropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95123237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).