2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one

C17H31N3O2 — CID 162790500

IUPAC2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one
SMILESCC(C)N1CC2COCCN2C2(CN(C(=O)C(C)(C)C)C2)C1
InChIInChI=1S/C17H31N3O2/c1-13(2)18-8-14-9-22-7-6-20(14)17(10-18)11-19(12-17)15(21)16(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyCDKVEDZCDXTEFU-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.04
Rot. Bonds1

About 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one

2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one (PubChem CID 162790500) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one
PubChem CID162790500
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one
SMILESCC(C)N1CC2COCCN2C2(CN(C(=O)C(C)(C)C)C2)C1
InChIInChI=1S/C17H31N3O2/c1-13(2)18-8-14-9-22-7-6-20(14)17(10-18)11-19(12-17)15(21)16(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyCDKVEDZCDXTEFU-UHFFFAOYSA-N
XLogP1.04
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one with MolForge

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Related Compounds

cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone
CID 162790561
1-(8-benzoylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)-2,2-dimethylpropan-1-one
CID 162790517
2-methyl-1-[1'-(2-methylpropyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]propan-1-one
CID 162827915
1-(1'-hexylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-2-methylpropan-1-one
CID 162790424
2-methoxy-1-(1'-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)ethanone
CID 162790792
2-methoxy-1-[1'-(oxetan-3-yl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]ethanone
CID 162790450
1-[4-(8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)piperidin-1-yl]ethanone
CID 162809623
[1'-(3,3-dimethylbutyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]-phenylmethanone
CID 163100147
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
1-[1'-[(2-hydroxyphenyl)methyl]spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]ethanone
CID 162790345
2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 115709686
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one (CID 162790500) is 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one is CC(C)N1CC2COCCN2C2(CN(C(=O)C(C)(C)C)C2)C1.
What is the InChIKey of 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one?
The InChIKey is CDKVEDZCDXTEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-13(2)18-8-14-9-22-7-6-20(14)17(10-18)11-19(12-17)15(21)16(3,4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one?
2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one has a molecular weight of 309.45 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one is sourced from PubChem (CID 162790500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).