4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid

C29H33N3O3Si — CID 172707926

IUPAC4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](Oc1cccc2cnn(C3CCN(C(=O)O)CC3)c12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33N3O3Si/c1-29(2,3)36(24-12-6-4-7-13-24,25-14-8-5-9-15-25)35-26-16-10-11-22-21-30-32(27(22)26)23-17-19-31(20-18-23)28(33)34/h4-16,21,23H,17-20H2,1-3H3,(H,33,34)
InChIKeyDVUCZEAANIIBDJ-UHFFFAOYSA-N
MW499.69 g/mol
LogP5.29
Rot. Bonds5

About 4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid

4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid (PubChem CID 172707926) has the molecular formula C29H33N3O3Si and a molecular weight of 499.69 g/mol. Its IUPAC name is 4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid
PubChem CID172707926
Molecular FormulaC29H33N3O3Si
Molecular Weight499.69 g/mol
Exact Mass499.23
IUPAC Name4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](Oc1cccc2cnn(C3CCN(C(=O)O)CC3)c12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33N3O3Si/c1-29(2,3)36(24-12-6-4-7-13-24,25-14-8-5-9-15-25)35-26-16-10-11-22-21-30-32(27(22)26)23-17-19-31(20-18-23)28(33)34/h4-16,21,23H,17-20H2,1-3H3,(H,33,34)
InChIKeyDVUCZEAANIIBDJ-UHFFFAOYSA-N
XLogP5.29
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.69
LogP ≤ 55.29
H-Bond Donors ≤ 51
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-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid (CID 172707926) is 4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid is CC(C)(C)[Si](Oc1cccc2cnn(C3CCN(C(=O)O)CC3)c12)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid?
The InChIKey is DVUCZEAANIIBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3Si/c1-29(2,3)36(24-12-6-4-7-13-24,25-14-8-5-9-15-25)35-26-16-10-11-22-21-30-32(27(22)26)23-17-19-31(20-18-23)28(33)34/h4-16,21,23H,17-20H2,1-3H3,(H,33,34).
What are the key properties of 4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid?
4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid has a molecular weight of 499.69 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[tert-butyl(diphenyl)silyl]oxyindazol-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 172707926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).