tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate

C12H20N2O4 — CID 22989488

IUPACtert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2CC(=O)OCC2C1
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)14-5-4-13-7-10(15)17-8-9(13)6-14/h9H,4-8H2,1-3H3
InChIKeyBIKGALNGFPNNCC-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.46
Rot. Bonds

About tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate

tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate (PubChem CID 22989488) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
PubChem CID22989488
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2CC(=O)OCC2C1
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)14-5-4-13-7-10(15)17-8-9(13)6-14/h9H,4-8H2,1-3H3
InChIKeyBIKGALNGFPNNCC-UHFFFAOYSA-N
XLogP0.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate with MolForge

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Related Compounds

Hexahydro-pyrazino[2,1-c][1,4]oxazine-8-carboxylic acid tert-butyl ester
CID 112756686
Tert-butyl 9a-(aminomethyl)-6-oxo-octahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
CID 155820576
2-O-tert-butyl 3-O-methyl (3S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2,3-dicarboxylate
CID 135013264
Tert-butyl 2-methyl-4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 72126141
Tert-butyl 4-oxo-octahydropiperazino[2,1-c]morpholine-8-carboxylate
CID 16123288
Tert-butyl 4-(1-ethoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 21831141
Tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
CID 22989478
Tert-butyl 4-(4-methylmorpholin-3-ylmethyl)piperazinecarboxylate
CID 23079653
1,2,4-Piperazinetricarboxylic acid, 1,4-bis(1,1-dimethylethyl) 2-ethyl ester
CID 23122072
Tert-butyl 4-(2-morpholino-2-oxoethyl)piperazine-1-carboxylate
CID 46743080
1-(4-Boc-piperazin-1-yl)-2-morpholinoethan-1-one
CID 47520353
Tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]piperazine-1-carboxylate
CID 54524982

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate?
The IUPAC name of tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate (CID 22989488) is tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate is CC(C)(C)OC(=O)N1CCN2CC(=O)OCC2C1.
What is the InChIKey of tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate?
The InChIKey is BIKGALNGFPNNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)14-5-4-13-7-10(15)17-8-9(13)6-14/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate?
tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate is sourced from PubChem (CID 22989488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).