1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid

C29H35NO3Si — CID 90040673

IUPAC1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid
SMILESCC(C)(C)[Si](OC1CN(Cc2ccccc2)CCC1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-27-22-30(20-19-26(27)28(31)32)21-23-13-7-4-8-14-23/h4-18,26-27H,19-22H2,1-3H3,(H,31,32)
InChIKeyQPGWPGRPRRPFTR-UHFFFAOYSA-N
MW473.69 g/mol
LogP4.54
Rot. Bonds7

About 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid

1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid (PubChem CID 90040673) has the molecular formula C29H35NO3Si and a molecular weight of 473.69 g/mol. Its IUPAC name is 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid
PubChem CID90040673
Molecular FormulaC29H35NO3Si
Molecular Weight473.69 g/mol
Exact Mass473.24
IUPAC Name1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid
SMILESCC(C)(C)[Si](OC1CN(Cc2ccccc2)CCC1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-27-22-30(20-19-26(27)28(31)32)21-23-13-7-4-8-14-23/h4-18,26-27H,19-22H2,1-3H3,(H,31,32)
InChIKeyQPGWPGRPRRPFTR-UHFFFAOYSA-N
XLogP4.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.69
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-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 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid?
The IUPAC name of 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid (CID 90040673) is 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid is CC(C)(C)[Si](OC1CN(Cc2ccccc2)CCC1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid?
The InChIKey is QPGWPGRPRRPFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-27-22-30(20-19-26(27)28(31)32)21-23-13-7-4-8-14-23/h4-18,26-27H,19-22H2,1-3H3,(H,31,32).
What are the key properties of 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid?
1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid has a molecular weight of 473.69 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylic acid is sourced from PubChem (CID 90040673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).