methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate

C23H29NO4Si — CID 11058701

IUPACmethyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
InChIInChI=1S/C23H29NO4Si/c1-23(2,3)29(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-18-15-16-24(21(25)17-18)22(26)27-4/h5-14,18H,15-17H2,1-4H3
InChIKeyWGFHSPAJIHUMDL-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.32
Rot. Bonds4

About methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate

methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate (PubChem CID 11058701) has the molecular formula C23H29NO4Si and a molecular weight of 411.57 g/mol. Its IUPAC name is methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
PubChem CID11058701
Molecular FormulaC23H29NO4Si
Molecular Weight411.57 g/mol
Exact Mass411.19
IUPAC Namemethyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
InChIInChI=1S/C23H29NO4Si/c1-23(2,3)29(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-18-15-16-24(21(25)17-18)22(26)27-4/h5-14,18H,15-17H2,1-4H3
InChIKeyWGFHSPAJIHUMDL-UHFFFAOYSA-N
XLogP3.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate?
The IUPAC name of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate (CID 11058701) is methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate?
The canonical SMILES for methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate is COC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O.
What is the InChIKey of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate?
The InChIKey is WGFHSPAJIHUMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4Si/c1-23(2,3)29(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-18-15-16-24(21(25)17-18)22(26)27-4/h5-14,18H,15-17H2,1-4H3.
What are the key properties of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate?
methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate has a molecular weight of 411.57 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 11058701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).