1,4-bis(trimethylsilyl)piperazine-2,5-dione

C30H66N6O6Si6 — CID 139045304

IUPAC1,4-bis(trimethylsilyl)piperazine-2,5-dione
SMILESC[Si](C)(C)N1CC(=O)N([Si](C)(C)C)CC1=O.C[Si](C)(C)N1CC(=O)N([Si](C)(C)C)CC1=O.C[Si](C)(C)N1CC(=O)N([Si](C)(C)C)CC1=O
InChIInChI=1S/3C10H22N2O2Si2/c3*1-15(2,3)11-7-10(14)12(8-9(11)13)16(4,5)6/h3*7-8H2,1-6H3
InChIKeyOJTARLMBPSNXRV-UHFFFAOYSA-N
MW775.41 g/mol
LogP3.98
Rot. Bonds6

About 1,4-bis(trimethylsilyl)piperazine-2,5-dione

1,4-bis(trimethylsilyl)piperazine-2,5-dione (PubChem CID 139045304) has the molecular formula C30H66N6O6Si6 and a molecular weight of 775.41 g/mol. Its IUPAC name is 1,4-bis(trimethylsilyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis(trimethylsilyl)piperazine-2,5-dione
PubChem CID139045304
Molecular FormulaC30H66N6O6Si6
Molecular Weight775.41 g/mol
Exact Mass774.37
IUPAC Name1,4-bis(trimethylsilyl)piperazine-2,5-dione
SMILESC[Si](C)(C)N1CC(=O)N([Si](C)(C)C)CC1=O.C[Si](C)(C)N1CC(=O)N([Si](C)(C)C)CC1=O.C[Si](C)(C)N1CC(=O)N([Si](C)(C)C)CC1=O
InChIInChI=1S/3C10H22N2O2Si2/c3*1-15(2,3)11-7-10(14)12(8-9(11)13)16(4,5)6/h3*7-8H2,1-6H3
InChIKeyOJTARLMBPSNXRV-UHFFFAOYSA-N
XLogP3.98
TPSA121.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500775.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1,4-bis(trimethylsilyl)piperazine-2,5-dione?
The IUPAC name of 1,4-bis(trimethylsilyl)piperazine-2,5-dione (CID 139045304) is 1,4-bis(trimethylsilyl)piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis(trimethylsilyl)piperazine-2,5-dione?
The canonical SMILES for 1,4-bis(trimethylsilyl)piperazine-2,5-dione is C[Si](C)(C)N1CC(=O)N([Si](C)(C)C)CC1=O.C[Si](C)(C)N1CC(=O)N([Si](C)(C)C)CC1=O.C[Si](C)(C)N1CC(=O)N([Si](C)(C)C)CC1=O.
What is the InChIKey of 1,4-bis(trimethylsilyl)piperazine-2,5-dione?
The InChIKey is OJTARLMBPSNXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H22N2O2Si2/c3*1-15(2,3)11-7-10(14)12(8-9(11)13)16(4,5)6/h3*7-8H2,1-6H3.
What are the key properties of 1,4-bis(trimethylsilyl)piperazine-2,5-dione?
1,4-bis(trimethylsilyl)piperazine-2,5-dione has a molecular weight of 775.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(trimethylsilyl)piperazine-2,5-dione is sourced from PubChem (CID 139045304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).