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

C21H27NO2Si — CID 124674079

IUPAC(4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
SMILESCC(C)(C)[Si](O[C@H]1CCNC(=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)/t17-/m0/s1
InChIKeyXAUGMOKNWLXHRX-KRWDZBQOSA-N
MW353.54 g/mol
LogP2.84
Rot. Bonds4

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

(4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one (PubChem CID 124674079) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
PubChem CID124674079
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Name(4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
SMILESCC(C)(C)[Si](O[C@H]1CCNC(=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)/t17-/m0/s1
InChIKeyXAUGMOKNWLXHRX-KRWDZBQOSA-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 (4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one?
The IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one (CID 124674079) is (4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one.
What is the SMILES notation for (4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one?
The canonical SMILES for (4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one is CC(C)(C)[Si](O[C@H]1CCNC(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one?
The InChIKey is XAUGMOKNWLXHRX-KRWDZBQOSA-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)/t17-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one?
(4S)-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 (4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one is sourced from PubChem (CID 124674079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).