3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one

C22H29NO2Si — CID 59410781

IUPAC3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
SMILESCC(C)(C)[Si](OCC1CCCNC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)26(19-12-6-4-7-13-19,20-14-8-5-9-15-20)25-17-18-11-10-16-23-21(18)24/h4-9,12-15,18H,10-11,16-17H2,1-3H3,(H,23,24)
InChIKeyXQQHGTLHXQGYFK-UHFFFAOYSA-N
MW367.56 g/mol
LogP3.09
Rot. Bonds5

About 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one

3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one (PubChem CID 59410781) has the molecular formula C22H29NO2Si and a molecular weight of 367.56 g/mol. Its IUPAC name is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one.

Molecular Properties

Compound Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
PubChem CID59410781
Molecular FormulaC22H29NO2Si
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
SMILESCC(C)(C)[Si](OCC1CCCNC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)26(19-12-6-4-7-13-19,20-14-8-5-9-15-20)25-17-18-11-10-16-23-21(18)24/h4-9,12-15,18H,10-11,16-17H2,1-3H3,(H,23,24)
InChIKeyXQQHGTLHXQGYFK-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.09
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 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one?
The IUPAC name of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one (CID 59410781) is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one.
What is the SMILES notation for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one?
The canonical SMILES for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one is CC(C)(C)[Si](OCC1CCCNC1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one?
The InChIKey is XQQHGTLHXQGYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-22(2,3)26(19-12-6-4-7-13-19,20-14-8-5-9-15-20)25-17-18-11-10-16-23-21(18)24/h4-9,12-15,18H,10-11,16-17H2,1-3H3,(H,23,24).
What are the key properties of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one?
3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one has a molecular weight of 367.56 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one is sourced from PubChem (CID 59410781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).