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

C53H88N14O8 — CID 20741639

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

1-[2-[[4-[bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione (PubChem CID 20741639) has the molecular formula C53H88N14O8 and a molecular weight of 1049.38 g/mol. Its IUPAC name is 1-[2-[[4-[bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione.

Molecular Properties

• Compound Name: 1-[2-[[4-[bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione
• PubChem CID: 20741639
• Molecular Formula: C53H88N14O8
• Molecular Weight: 1049.38 g/mol
• Exact Mass: 1048.69
• IUPAC Name: 1-[2-[[4-[bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione
• SMILES: CCCCN(c1nc(N(CCN2C(=O)C(C)(C)NC(C)(C)C2=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)nc(N(CCN2C(=O)C(C)(C)NC(C)(C)C2=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)n1)C1CCCCC1
• InChI: InChI=1S/C53H88N14O8/c1-18-19-25-63(34-23-21-20-22-24-34)45-55-43(61(26-30-64-35(68)46(2,3)57-47(4,5)36(64)69)27-31-65-37(70)48(6,7)58-49(8,9)38(65)71)54-44(56-45)62(28-32-66-39(72)50(10,11)59-51(12,13)40(66)73)29-33-67-41(74)52(14,15)60-53(16,17)42(67)75/h34,57-60H,18-33H2,1-17H3
• InChIKey: YXQYKXQXDLVPKH-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 246.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.38
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	4
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-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione?

The IUPAC name of 1-[2-[[4-[bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione (CID 20741639) is 1-[2-[[4-[bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione.

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

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

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

The InChIKey is YXQYKXQXDLVPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H88N14O8/c1-18-19-25-63(34-23-21-20-22-24-34)45-55-43(61(26-30-64-35(68)46(2,3)57-47(4,5)36(64)69)27-31-65-37(70)48(6,7)58-49(8,9)38(65)71)54-44(56-45)62(28-32-66-39(72)50(10,11)59-51(12,13)40(66)73)29-33-67-41(74)52(14,15)60-53(16,17)42(67)75/h34,57-60H,18-33H2,1-17H3.

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

1-[2-[[4-[bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione has a molecular weight of 1049.38 g/mol, XLogP of 2.49, 19 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4-[bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]-6-[butyl(cyclohexyl)amino]-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione is sourced from PubChem (CID 20741639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).