5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one

C26H29NOSi — CID 10692326

IUPAC5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one
SMILESCC1(C)CCC(=O)NC1C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NOSi/c1-26(2)19-18-25(28)27-24(26)20-29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24H,18-20H2,1-2H3,(H,27,28)
InChIKeyZWGFQODAADGRDV-UHFFFAOYSA-N
MW399.61 g/mol
LogP3.46
Rot. Bonds5

About 5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one

5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one (PubChem CID 10692326) has the molecular formula C26H29NOSi and a molecular weight of 399.61 g/mol. Its IUPAC name is 5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one
PubChem CID10692326
Molecular FormulaC26H29NOSi
Molecular Weight399.61 g/mol
Exact Mass399.20
IUPAC Name5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one
SMILESCC1(C)CCC(=O)NC1C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NOSi/c1-26(2)19-18-25(28)27-24(26)20-29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24H,18-20H2,1-2H3,(H,27,28)
InChIKeyZWGFQODAADGRDV-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.61
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one?
The IUPAC name of 5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one (CID 10692326) is 5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one.
What is the SMILES notation for 5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one?
The canonical SMILES for 5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one is CC1(C)CCC(=O)NC1C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one?
The InChIKey is ZWGFQODAADGRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NOSi/c1-26(2)19-18-25(28)27-24(26)20-29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24H,18-20H2,1-2H3,(H,27,28).
What are the key properties of 5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one?
5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one has a molecular weight of 399.61 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one is sourced from PubChem (CID 10692326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).