5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one

C23H31NO2Si — CID 140943548

IUPAC5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one
SMILESCCN1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O
InChIInChI=1S/C23H31NO2Si/c1-5-24-18-19(16-17-22(24)25)26-27(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,5,16-18H2,1-4H3
InChIKeyRMSKROPUDDQCNL-UHFFFAOYSA-N
MW381.59 g/mol
LogP3.57
Rot. Bonds5

About 5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one

5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one (PubChem CID 140943548) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one
PubChem CID140943548
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one
SMILESCCN1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O
InChIInChI=1S/C23H31NO2Si/c1-5-24-18-19(16-17-22(24)25)26-27(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,5,16-18H2,1-4H3
InChIKeyRMSKROPUDDQCNL-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 53.57
H-Bond Donors ≤ 50
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 5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one (CID 140943548) is 5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one is CCN1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one?
The InChIKey is RMSKROPUDDQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-5-24-18-19(16-17-22(24)25)26-27(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,5,16-18H2,1-4H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one?
5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one has a molecular weight of 381.59 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one is sourced from PubChem (CID 140943548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).