2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid

C27H37NO4Si — CID 174166352

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid
SMILESCC(C)CC1CCC(=O)N(C(=O)O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-20(2)18-21-16-17-25(29)28(26(30)31)24(21)19-32-33(27(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,24H,16-19H2,1-5H3,(H,30,31)
InChIKeyOXRXAWFUDOCLPJ-UHFFFAOYSA-N
MW467.68 g/mol
LogP4.89
Rot. Bonds7

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid (PubChem CID 174166352) has the molecular formula C27H37NO4Si and a molecular weight of 467.68 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid
PubChem CID174166352
Molecular FormulaC27H37NO4Si
Molecular Weight467.68 g/mol
Exact Mass467.25
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid
SMILESCC(C)CC1CCC(=O)N(C(=O)O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-20(2)18-21-16-17-25(29)28(26(30)31)24(21)19-32-33(27(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,24H,16-19H2,1-5H3,(H,30,31)
InChIKeyOXRXAWFUDOCLPJ-UHFFFAOYSA-N
XLogP4.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid (CID 174166352) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid is CC(C)CC1CCC(=O)N(C(=O)O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid?
The InChIKey is OXRXAWFUDOCLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-20(2)18-21-16-17-25(29)28(26(30)31)24(21)19-32-33(27(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,24H,16-19H2,1-5H3,(H,30,31).
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid has a molecular weight of 467.68 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 174166352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).