1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione

C57H96N14O8 — CID 20741638

About 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione

1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione (PubChem CID 20741638) has the molecular formula C57H96N14O8 and a molecular weight of 1105.48 g/mol. Its IUPAC name is 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione.

Molecular Properties

• Compound Name: 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione
• PubChem CID: 20741638
• Molecular Formula: C57H96N14O8
• Molecular Weight: 1105.48 g/mol
• Exact Mass: 1104.75
• IUPAC Name: 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione
• SMILES: CCCCN(c1nc(N(CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)nc(N(CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)n1)C1CCCCC1
• InChI: InChI=1S/C57H96N14O8/c1-22-23-29-67(38-27-25-24-26-28-38)49-59-47(65(30-34-68-39(72)50(2,3)61(18)51(4,5)40(68)73)31-35-69-41(74)52(6,7)62(19)53(8,9)42(69)75)58-48(60-49)66(32-36-70-43(76)54(10,11)63(20)55(12,13)44(70)77)33-37-71-45(78)56(14,15)64(21)57(16,17)46(71)79/h38H,22-37H2,1-21H3
• InChIKey: VIEDOSIAQMXSKQ-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 210.87 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.48
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?

The IUPAC name of 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione (CID 20741638) is 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione.

What is the SMILES notation for 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?

The canonical SMILES for 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione is CCCCN(c1nc(N(CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)nc(N(CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)n1)C1CCCCC1.

What is the InChIKey of 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?

The InChIKey is VIEDOSIAQMXSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H96N14O8/c1-22-23-29-67(38-27-25-24-26-28-38)49-59-47(65(30-34-68-39(72)50(2,3)61(18)51(4,5)40(68)73)31-35-69-41(74)52(6,7)62(19)53(8,9)42(69)75)58-48(60-49)66(32-36-70-43(76)54(10,11)63(20)55(12,13)44(70)77)33-37-71-45(78)56(14,15)64(21)57(16,17)46(71)79/h38H,22-37H2,1-21H3.

What are the key properties of 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?

1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione has a molecular weight of 1105.48 g/mol, XLogP of 3.85, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4-[bis[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione is sourced from PubChem (CID 20741638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).