1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone

C16H33N3O2Si — CID 67229919

IUPAC1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
SMILESCC(=O)N1CCN2CC(CO[Si](C)(C)C(C)(C)C)NC[C@H]2C1
InChIInChI=1S/C16H33N3O2Si/c1-13(20)18-7-8-19-10-14(17-9-15(19)11-18)12-21-22(5,6)16(2,3)4/h14-15,17H,7-12H2,1-6H3/t14?,15-/m0/s1
InChIKeyBSBHJJOSYCWCIO-LOACHALJSA-N
MW327.55 g/mol
LogP1.51
Rot. Bonds3

About 1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone

1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone (PubChem CID 67229919) has the molecular formula C16H33N3O2Si and a molecular weight of 327.55 g/mol. Its IUPAC name is 1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
PubChem CID67229919
Molecular FormulaC16H33N3O2Si
Molecular Weight327.55 g/mol
Exact Mass327.23
IUPAC Name1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
SMILESCC(=O)N1CCN2CC(CO[Si](C)(C)C(C)(C)C)NC[C@H]2C1
InChIInChI=1S/C16H33N3O2Si/c1-13(20)18-7-8-19-10-14(17-9-15(19)11-18)12-21-22(5,6)16(2,3)4/h14-15,17H,7-12H2,1-6H3/t14?,15-/m0/s1
InChIKeyBSBHJJOSYCWCIO-LOACHALJSA-N
XLogP1.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone?
The IUPAC name of 1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone (CID 67229919) is 1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone?
The canonical SMILES for 1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone is CC(=O)N1CCN2CC(CO[Si](C)(C)C(C)(C)C)NC[C@H]2C1.
What is the InChIKey of 1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone?
The InChIKey is BSBHJJOSYCWCIO-LOACHALJSA-N. The full InChI is InChI=1S/C16H33N3O2Si/c1-13(20)18-7-8-19-10-14(17-9-15(19)11-18)12-21-22(5,6)16(2,3)4/h14-15,17H,7-12H2,1-6H3/t14?,15-/m0/s1.
What are the key properties of 1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone?
1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone has a molecular weight of 327.55 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone is sourced from PubChem (CID 67229919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).