3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one

C60H106N20O4 — CID 54512699

About 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one

3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one (PubChem CID 54512699) has the molecular formula C60H106N20O4 and a molecular weight of 1171.64 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one.

Molecular Properties

• Compound Name: 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one
• PubChem CID: 54512699
• Molecular Formula: C60H106N20O4
• Molecular Weight: 1171.64 g/mol
• Exact Mass: 1170.87
• IUPAC Name: 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one
• SMILES: CC(C)(CN1CC(C)(C)NC(C)(C)C1=O)Nc1nc(CCCCCCc2nc(NC(C)(C)CN3CC(C)(C)NC(C)(C)C3=O)nc(NC3(C)CNC3N3CC(C)(C)NC(C)(C)C3=O)n2)nc(NC2(C)CNC2N2CC(C)(C)NC(C)(C)C2=O)n1
• InChI: InChI=1S/C60H106N20O4/c1-49(2,31-77-33-51(5,6)73-55(13,14)41(77)81)69-45-63-37(65-47(67-45)71-59(21)29-61-39(59)79-35-53(9,10)75-57(17,18)43(79)83)27-25-23-24-26-28-38-64-46(70-50(3,4)32-78-34-52(7,8)74-56(15,16)42(78)82)68-48(66-38)72-60(22)30-62-40(60)80-36-54(11,12)76-58(19,20)44(80)84/h39-40,61-62,73-76H,23-36H2,1-22H3,(H2,63,65,67,69,71)(H2,64,66,68,70,72)
• InChIKey: YKGINXPIFTXEKC-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 278.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1171.64
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one?

The IUPAC name of 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one (CID 54512699) is 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one.

What is the SMILES notation for 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one?

The canonical SMILES for 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one is CC(C)(CN1CC(C)(C)NC(C)(C)C1=O)Nc1nc(CCCCCCc2nc(NC(C)(C)CN3CC(C)(C)NC(C)(C)C3=O)nc(NC3(C)CNC3N3CC(C)(C)NC(C)(C)C3=O)n2)nc(NC2(C)CNC2N2CC(C)(C)NC(C)(C)C2=O)n1.

What is the InChIKey of 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one?

The InChIKey is YKGINXPIFTXEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H106N20O4/c1-49(2,31-77-33-51(5,6)73-55(13,14)41(77)81)69-45-63-37(65-47(67-45)71-59(21)29-61-39(59)79-35-53(9,10)75-57(17,18)43(79)83)27-25-23-24-26-28-38-64-46(70-50(3,4)32-78-34-52(7,8)74-56(15,16)42(78)82)68-48(66-38)72-60(22)30-62-40(60)80-36-54(11,12)76-58(19,20)44(80)84/h39-40,61-62,73-76H,23-36H2,1-22H3,(H2,63,65,67,69,71)(H2,64,66,68,70,72).

What are the key properties of 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one?

3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one has a molecular weight of 1171.64 g/mol, XLogP of 3.94, 21 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,5,5-tetramethyl-1-[2-methyl-2-[[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[6-[4-[[3-methyl-2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)azetidin-3-yl]amino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]hexyl]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one is sourced from PubChem (CID 54512699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).