tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate

C27H44N2O4Si — CID 174055603

About tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate

tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate (PubChem CID 174055603) has the molecular formula C27H44N2O4Si and a molecular weight of 488.75 g/mol. Its IUPAC name is tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate
• PubChem CID: 174055603
• Molecular Formula: C27H44N2O4Si
• Molecular Weight: 488.75 g/mol
• Exact Mass: 488.31
• IUPAC Name: tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate
• SMILES: CC(C)[Si](OCc1nccc2c1CC1(CCN(C(=O)OC(C)(C)C)CC1)C2=O)(C(C)C)C(C)C
• InChI: InChI=1S/C27H44N2O4Si/c1-18(2)34(19(3)4,20(5)6)32-17-23-22-16-27(24(30)21(22)10-13-28-23)11-14-29(15-12-27)25(31)33-26(7,8)9/h10,13,18-20H,11-12,14-17H2,1-9H3
• InChIKey: RYBBLJSINOWIAW-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 68.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.75
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate?

The IUPAC name of tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate (CID 174055603) is tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate.

What is the SMILES notation for tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate?

The canonical SMILES for tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate is CC(C)[Si](OCc1nccc2c1CC1(CCN(C(=O)OC(C)(C)C)CC1)C2=O)(C(C)C)C(C)C.

What is the InChIKey of tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate?

The InChIKey is RYBBLJSINOWIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N2O4Si/c1-18(2)34(19(3)4,20(5)6)32-17-23-22-16-27(24(30)21(22)10-13-28-23)11-14-29(15-12-27)25(31)33-26(7,8)9/h10,13,18-20H,11-12,14-17H2,1-9H3.

What are the key properties of tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate?

tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate has a molecular weight of 488.75 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-oxo-1-[tri(propan-2-yl)silyloxymethyl]spiro[7H-cyclopenta[c]pyridine-6,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 174055603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).