benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate

C38H52N4O7Si — CID 178161357

About benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate

benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate (PubChem CID 178161357) has the molecular formula C38H52N4O7Si and a molecular weight of 704.94 g/mol. Its IUPAC name is benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate
• PubChem CID: 178161357
• Molecular Formula: C38H52N4O7Si
• Molecular Weight: 704.94 g/mol
• Exact Mass: 704.36
• IUPAC Name: benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate
• SMILES: C[Si](C)(C)CCOCN1C(=O)CCC(N2Cc3cc(N4CCC(COC5CCN(C(=O)OCc6ccccc6)CC5)CC4)ccc3C2=O)C1=O
• InChI: InChI=1S/C38H52N4O7Si/c1-50(2,3)22-21-47-27-42-35(43)12-11-34(37(42)45)41-24-30-23-31(9-10-33(30)36(41)44)39-17-13-29(14-18-39)25-48-32-15-19-40(20-16-32)38(46)49-26-28-7-5-4-6-8-28/h4-10,23,29,32,34H,11-22,24-27H2,1-3H3
• InChIKey: MMQCOWHYAGXIBM-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 108.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.94
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate?

The IUPAC name of benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate (CID 178161357) is benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate.

What is the SMILES notation for benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate?

The canonical SMILES for benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate is C[Si](C)(C)CCOCN1C(=O)CCC(N2Cc3cc(N4CCC(COC5CCN(C(=O)OCc6ccccc6)CC5)CC4)ccc3C2=O)C1=O.

What is the InChIKey of benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate?

The InChIKey is MMQCOWHYAGXIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H52N4O7Si/c1-50(2,3)22-21-47-27-42-35(43)12-11-34(37(42)45)41-24-30-23-31(9-10-33(30)36(41)44)39-17-13-29(14-18-39)25-48-32-15-19-40(20-16-32)38(46)49-26-28-7-5-4-6-8-28/h4-10,23,29,32,34H,11-22,24-27H2,1-3H3.

What are the key properties of benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate?

benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate has a molecular weight of 704.94 g/mol, XLogP of 5.51, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 178161357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).