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

C22H29NO2Si — CID 140943531

IUPAC5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one
SMILESCN1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-18-15-16-21(24)23(4)17-18/h5-14,18H,15-17H2,1-4H3
InChIKeyISYHZQULEBECCB-UHFFFAOYSA-N
MW367.56 g/mol
LogP3.18
Rot. Bonds4

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

5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one (PubChem CID 140943531) has the molecular formula C22H29NO2Si and a molecular weight of 367.56 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one
PubChem CID140943531
Molecular FormulaC22H29NO2Si
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one
SMILESCN1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-18-15-16-21(24)23(4)17-18/h5-14,18H,15-17H2,1-4H3
InChIKeyISYHZQULEBECCB-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.18
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-methylpiperidin-2-one?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one (CID 140943531) is 5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one is CN1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one?
The InChIKey is ISYHZQULEBECCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-18-15-16-21(24)23(4)17-18/h5-14,18H,15-17H2,1-4H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one?
5-[tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one has a molecular weight of 367.56 g/mol, XLogP of 3.18, 4 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-methylpiperidin-2-one is sourced from PubChem (CID 140943531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).