2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone

C18H27N3O — CID 162838744

IUPAC2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone
SMILESCN1CC2CN(C(=O)Cc3ccccc3)CCN2C(C)(C)C1
InChIInChI=1S/C18H27N3O/c1-18(2)14-19(3)12-16-13-20(9-10-21(16)18)17(22)11-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyCGXMQVNJDVDTNN-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.47
Rot. Bonds2

About 2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone

2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 162838744) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone
PubChem CID162838744
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone
SMILESCN1CC2CN(C(=O)Cc3ccccc3)CCN2C(C)(C)C1
InChIInChI=1S/C18H27N3O/c1-18(2)14-19(3)12-16-13-20(9-10-21(16)18)17(22)11-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyCGXMQVNJDVDTNN-UHFFFAOYSA-N
XLogP1.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(9aS)-2-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-2-phenylethanone
CID 124875265
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
(9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 124877794
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
1-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-phenylethanone
CID 97484939
1-[2-benzyl-4-(hydroxymethyl)-4-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-2-phenoxyethanone
CID 162937504
2-(1-methylpyrrolidin-3-yl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72880029
1-(1'-acetyl-7-hydroxyspiro[1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)-2-phenylethanone
CID 162822732
1-[(7R,8aS)-1'-acetyl-7-hydroxyspiro[1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl]-2-phenylethanone
CID 125417238
[(9aS)-8-(2-fluorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-phenylmethanone
CID 124877093

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone (CID 162838744) is 2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone is CN1CC2CN(C(=O)Cc3ccccc3)CCN2C(C)(C)C1.
What is the InChIKey of 2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is CGXMQVNJDVDTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-18(2)14-19(3)12-16-13-20(9-10-21(16)18)17(22)11-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3.
What are the key properties of 2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone?
2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 301.43 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 162838744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).