tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate

C33H43N3O5Si — CID 10908057

About tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate

tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate (PubChem CID 10908057) has the molecular formula C33H43N3O5Si and a molecular weight of 589.81 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate
• PubChem CID: 10908057
• Molecular Formula: C33H43N3O5Si
• Molecular Weight: 589.81 g/mol
• Exact Mass: 589.30
• IUPAC Name: tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1CC(=O)Cn1cnccc1=O
• InChI: InChI=1S/C33H43N3O5Si/c1-32(2,3)40-31(39)36-21-13-18-29(28(36)22-25(37)23-35-24-34-20-19-30(35)38)41-42(33(4,5)6,26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-12,14-17,19-20,24,28-29H,13,18,21-23H2,1-6H3
• InChIKey: RSWNMRZOHKGELR-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 90.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.81
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate (CID 10908057) is tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1CC(=O)Cn1cnccc1=O.

What is the InChIKey of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate?

The InChIKey is RSWNMRZOHKGELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O5Si/c1-32(2,3)40-31(39)36-21-13-18-29(28(36)22-25(37)23-35-24-34-20-19-30(35)38)41-42(33(4,5)6,26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-12,14-17,19-20,24,28-29H,13,18,21-23H2,1-6H3.

What are the key properties of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate?

tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate has a molecular weight of 589.81 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[2-oxo-3-(6-oxopyrimidin-1-yl)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 10908057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).