2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one

C19H24N2O3 — CID 14547377

IUPAC2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
SMILESO=C(C1CCOCC1)N1CC(=O)N2CCCc3ccccc3C2C1
InChIInChI=1S/C19H24N2O3/c22-18-13-20(19(23)15-7-10-24-11-8-15)12-17-16-6-2-1-4-14(16)5-3-9-21(17)18/h1-2,4,6,15,17H,3,5,7-13H2
InChIKeyBYGHZELJPPDZOW-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.77
Rot. Bonds1

About 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one

2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one (PubChem CID 14547377) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one.

Molecular Properties

Compound Name2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
PubChem CID14547377
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
SMILESO=C(C1CCOCC1)N1CC(=O)N2CCCc3ccccc3C2C1
InChIInChI=1S/C19H24N2O3/c22-18-13-20(19(23)15-7-10-24-11-8-15)12-17-16-6-2-1-4-14(16)5-3-9-21(17)18/h1-2,4,6,15,17H,3,5,7-13H2
InChIKeyBYGHZELJPPDZOW-UHFFFAOYSA-N
XLogP1.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one with MolForge

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Related Compounds

Epsiprantel
CID 72026
N-methyl-2-[1-(2-methylbenzyl)-3-oxo-2-piperazinyl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 24817644
(1,4)Diazepino(7,1-a)isoquinolin-5(2H)-one, 1,3,4,7,8,12b-hexahydro-3-(cyclohexylcarbonyl)-
CID 604360
N-methyl-2-[1-(2-methylbenzyl)-3-oxo-2-piperazinyl]-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]acetamide
CID 24817833
2-(Cyclopentanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547373
2-(Cycloheptanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547374
2-(Cyclohexene-1-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547375
2-(Cyclohex-3-ene-1-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547376
2-(Thiane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547378
2-Acetyl-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547369
2-(2-Methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547370
2-Hexanoyl-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547371

Frequently Asked Questions

What is the IUPAC name of 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
The IUPAC name of 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one (CID 14547377) is 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one.
What is the SMILES notation for 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
The canonical SMILES for 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one is O=C(C1CCOCC1)N1CC(=O)N2CCCc3ccccc3C2C1.
What is the InChIKey of 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
The InChIKey is BYGHZELJPPDZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18-13-20(19(23)15-7-10-24-11-8-15)12-17-16-6-2-1-4-14(16)5-3-9-21(17)18/h1-2,4,6,15,17H,3,5,7-13H2.
What are the key properties of 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one has a molecular weight of 328.41 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one is sourced from PubChem (CID 14547377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).