4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one

C21H27NO2Si — CID 90295657

IUPAC4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
SMILESCC(C)(C)[Si](OC1CCNC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-17-14-15-22-20(23)16-17/h4-13,17H,14-16H2,1-3H3,(H,22,23)
InChIKeyXAUGMOKNWLXHRX-UHFFFAOYSA-N
MW353.54 g/mol
LogP2.84
Rot. Bonds4

About 4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one

4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one (PubChem CID 90295657) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
PubChem CID90295657
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
SMILESCC(C)(C)[Si](OC1CCNC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-17-14-15-22-20(23)16-17/h4-13,17H,14-16H2,1-3H3,(H,22,23)
InChIKeyXAUGMOKNWLXHRX-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one (CID 90295657) is 4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one is CC(C)(C)[Si](OC1CCNC(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one?
The InChIKey is XAUGMOKNWLXHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-17-14-15-22-20(23)16-17/h4-13,17H,14-16H2,1-3H3,(H,22,23).
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one?
4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one has a molecular weight of 353.54 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one is sourced from PubChem (CID 90295657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).