[2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate

C26H35NO4Si — CID 59161011

IUPAC[2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C26H35NO4Si/c1-21(28)30-20-25(29)27-17-15-22(16-18-27)19-31-32(26(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,22H,15-20H2,1-4H3
InChIKeySXQWGLNAEQEMDG-UHFFFAOYSA-N
MW453.66 g/mol
LogP3.36
Rot. Bonds7

About [2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate

[2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate (PubChem CID 59161011) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is [2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate
PubChem CID59161011
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Name[2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C26H35NO4Si/c1-21(28)30-20-25(29)27-17-15-22(16-18-27)19-31-32(26(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,22H,15-20H2,1-4H3
InChIKeySXQWGLNAEQEMDG-UHFFFAOYSA-N
XLogP3.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 53.36
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 [2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate (CID 59161011) is [2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate is CC(=O)OCC(=O)N1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of [2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate?
The InChIKey is SXQWGLNAEQEMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-21(28)30-20-25(29)27-17-15-22(16-18-27)19-31-32(26(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,22H,15-20H2,1-4H3.
What are the key properties of [2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate?
[2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate has a molecular weight of 453.66 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 59161011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).