4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid

C26H33N3O4Si — CID 68568479

IUPAC4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCc1cn(C2CCN(C(=O)O)CC2)c(=O)[nH]1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33N3O4Si/c1-26(2,3)34(22-10-6-4-7-11-22,23-12-8-5-9-13-23)33-19-20-18-29(24(30)27-20)21-14-16-28(17-15-21)25(31)32/h4-13,18,21H,14-17,19H2,1-3H3,(H,27,30)(H,31,32)
InChIKeySHDRTMQXGWUGQL-UHFFFAOYSA-N
MW479.65 g/mol
LogP3.57
Rot. Bonds6

About 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid

4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid (PubChem CID 68568479) has the molecular formula C26H33N3O4Si and a molecular weight of 479.65 g/mol. Its IUPAC name is 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid
PubChem CID68568479
Molecular FormulaC26H33N3O4Si
Molecular Weight479.65 g/mol
Exact Mass479.22
IUPAC Name4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCc1cn(C2CCN(C(=O)O)CC2)c(=O)[nH]1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33N3O4Si/c1-26(2,3)34(22-10-6-4-7-11-22,23-12-8-5-9-13-23)33-19-20-18-29(24(30)27-20)21-14-16-28(17-15-21)25(31)32/h4-13,18,21H,14-17,19H2,1-3H3,(H,27,30)(H,31,32)
InChIKeySHDRTMQXGWUGQL-UHFFFAOYSA-N
XLogP3.57
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 53.57
H-Bond Donors ≤ 52
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 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid (CID 68568479) is 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid is CC(C)(C)[Si](OCc1cn(C2CCN(C(=O)O)CC2)c(=O)[nH]1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid?
The InChIKey is SHDRTMQXGWUGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4Si/c1-26(2,3)34(22-10-6-4-7-11-22,23-12-8-5-9-13-23)33-19-20-18-29(24(30)27-20)21-14-16-28(17-15-21)25(31)32/h4-13,18,21H,14-17,19H2,1-3H3,(H,27,30)(H,31,32).
What are the key properties of 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid?
4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid has a molecular weight of 479.65 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68568479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).