N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide

C63H116N16O6 — CID 21136890

About N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide

N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide (PubChem CID 21136890) has the molecular formula C63H116N16O6 and a molecular weight of 1193.73 g/mol. Its IUPAC name is N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide
• PubChem CID: 21136890
• Molecular Formula: C63H116N16O6
• Molecular Weight: 1193.73 g/mol
• Exact Mass: 1192.93
• IUPAC Name: N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide
• SMILES: CC(=O)N(CCCCCCN(CCN1CC(C)(C)NC(C)(C)C1=O)c1nc(NC(C)(C)C)nc(N(CCCCCCN(CCN2CC(C)(C)NC(C)(C)C2=O)C(C)=O)CCN2CC(C)(C)NC(C)(C)C2=O)n1)CCN1CC(C)(C)NC(C)(C)C1=O
• InChI: InChI=1S/C63H116N16O6/c1-46(80)72(34-38-76-42-56(6,7)68-60(14,15)48(76)82)30-26-22-24-28-32-74(36-40-78-44-58(10,11)70-62(18,19)50(78)84)53-64-52(67-55(3,4)5)65-54(66-53)75(37-41-79-45-59(12,13)71-63(20,21)51(79)85)33-29-25-23-27-31-73(47(2)81)35-39-77-43-57(8,9)69-61(16,17)49(77)83/h68-71H,22-45H2,1-21H3,(H,64,65,66,67)
• InChIKey: MOOAAGKAWQEVNK-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 227.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1193.73
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide?

The IUPAC name of N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide (CID 21136890) is N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide.

What is the SMILES notation for N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide?

The canonical SMILES for N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide is CC(=O)N(CCCCCCN(CCN1CC(C)(C)NC(C)(C)C1=O)c1nc(NC(C)(C)C)nc(N(CCCCCCN(CCN2CC(C)(C)NC(C)(C)C2=O)C(C)=O)CCN2CC(C)(C)NC(C)(C)C2=O)n1)CCN1CC(C)(C)NC(C)(C)C1=O.

What is the InChIKey of N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide?

The InChIKey is MOOAAGKAWQEVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H116N16O6/c1-46(80)72(34-38-76-42-56(6,7)68-60(14,15)48(76)82)30-26-22-24-28-32-74(36-40-78-44-58(10,11)70-62(18,19)50(78)84)53-64-52(67-55(3,4)5)65-54(66-53)75(37-41-79-45-59(12,13)71-63(20,21)51(79)85)33-29-25-23-27-31-73(47(2)81)35-39-77-43-57(8,9)69-61(16,17)49(77)83/h68-71H,22-45H2,1-21H3,(H,64,65,66,67).

What are the key properties of N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide?

N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide has a molecular weight of 1193.73 g/mol, XLogP of 5.47, 29 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[4-[6-[acetyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-(tert-butylamino)-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl]-N-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 21136890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).