5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one

C50H74N8O8Si2 — CID 157393570

About 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one

5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one (PubChem CID 157393570) has the molecular formula C50H74N8O8Si2 and a molecular weight of 971.36 g/mol. Its IUPAC name is 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one.

Molecular Properties

• Compound Name: 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one
• PubChem CID: 157393570
• Molecular Formula: C50H74N8O8Si2
• Molecular Weight: 971.36 g/mol
• Exact Mass: 970.52
• IUPAC Name: 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one
• SMILES: COc1ccc(Cn2cc(/C=C/CO[Si](C)(C)C(C)(C)C)nc(N3CCNC(=O)C3)c2=O)cc1.COc1ccc(Cn2cc(CCCO[Si](C)(C)C(C)(C)C)nc(N3CCNC(=O)C3)c2=O)cc1
• InChI: InChI=1S/C25H38N4O4Si.C25H36N4O4Si/c2*1-25(2,3)34(5,6)33-15-7-8-20-17-29(16-19-9-11-21(32-4)12-10-19)24(31)23(27-20)28-14-13-26-22(30)18-28/h9-12,17H,7-8,13-16,18H2,1-6H3,(H,26,30);7-12,17H,13-16,18H2,1-6H3,(H,26,30)/b;8-7+
• InChIKey: BMHNNZOELBUHMM-ILHSMLOTSA-N
• XLogP: 6.46
• TPSA: 171.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	971.36
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one?

The IUPAC name of 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one (CID 157393570) is 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one.

What is the SMILES notation for 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one?

The canonical SMILES for 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one is COc1ccc(Cn2cc(/C=C/CO[Si](C)(C)C(C)(C)C)nc(N3CCNC(=O)C3)c2=O)cc1.COc1ccc(Cn2cc(CCCO[Si](C)(C)C(C)(C)C)nc(N3CCNC(=O)C3)c2=O)cc1.

What is the InChIKey of 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one?

The InChIKey is BMHNNZOELBUHMM-ILHSMLOTSA-N. The full InChI is InChI=1S/C25H38N4O4Si.C25H36N4O4Si/c2*1-25(2,3)34(5,6)33-15-7-8-20-17-29(16-19-9-11-21(32-4)12-10-19)24(31)23(27-20)28-14-13-26-22(30)18-28/h9-12,17H,7-8,13-16,18H2,1-6H3,(H,26,30);7-12,17H,13-16,18H2,1-6H3,(H,26,30)/b;8-7+.

What are the key properties of 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one?

5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one has a molecular weight of 971.36 g/mol, XLogP of 6.46, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one;5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-[(4-methoxyphenyl)methyl]-3-(3-oxopiperazin-1-yl)pyrazin-2-one is sourced from PubChem (CID 157393570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).