4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate

C58H106N16O4 — CID 14746240

IUPAC4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCCN(c1nc(NCC(=O)OCCCCOC(=O)CNc2nc(N(CC)C3CC(C)(C)NC(C)(C)C3)nc(N(CC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C58H106N16O4/c1-21-71(39-29-51(5,6)67-52(7,8)30-39)47-61-45(62-48(65-47)72(22-2)40-31-53(9,10)68-54(11,12)32-40)59-37-43(75)77-27-25-26-28-78-44(76)38-60-46-63-49(73(23-3)41-33-55(13,14)69-56(15,16)34-41)66-50(64-46)74(24-4)42-35-57(17,18)70-58(19,20)36-42/h39-42,67-70H,21-38H2,1-20H3,(H,59,61,62,65)(H,60,63,64,66)
InChIKeyCUPSHEVVERSVTK-UHFFFAOYSA-N
MW1091.59 g/mol
LogP7.99
Rot. Bonds23

About 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate

4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 14746240) has the molecular formula C58H106N16O4 and a molecular weight of 1091.59 g/mol. Its IUPAC name is 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Name4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
PubChem CID14746240
Molecular FormulaC58H106N16O4
Molecular Weight1091.59 g/mol
Exact Mass1090.86
IUPAC Name4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCCN(c1nc(NCC(=O)OCCCCOC(=O)CNc2nc(N(CC)C3CC(C)(C)NC(C)(C)C3)nc(N(CC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C58H106N16O4/c1-21-71(39-29-51(5,6)67-52(7,8)30-39)47-61-45(62-48(65-47)72(22-2)40-31-53(9,10)68-54(11,12)32-40)59-37-43(75)77-27-25-26-28-78-44(76)38-60-46-63-49(73(23-3)41-33-55(13,14)69-56(15,16)34-41)66-50(64-46)74(24-4)42-35-57(17,18)70-58(19,20)36-42/h39-42,67-70H,21-38H2,1-20H3,(H,59,61,62,65)(H,60,63,64,66)
InChIKeyCUPSHEVVERSVTK-UHFFFAOYSA-N
XLogP7.99
TPSA215.08 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001091.59
LogP ≤ 57.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (CID 14746240) is 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is CCN(c1nc(NCC(=O)OCCCCOC(=O)CNc2nc(N(CC)C3CC(C)(C)NC(C)(C)C3)nc(N(CC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is CUPSHEVVERSVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H106N16O4/c1-21-71(39-29-51(5,6)67-52(7,8)30-39)47-61-45(62-48(65-47)72(22-2)40-31-53(9,10)68-54(11,12)32-40)59-37-43(75)77-27-25-26-28-78-44(76)38-60-46-63-49(73(23-3)41-33-55(13,14)69-56(15,16)34-41)66-50(64-46)74(24-4)42-35-57(17,18)70-58(19,20)36-42/h39-42,67-70H,21-38H2,1-20H3,(H,59,61,62,65)(H,60,63,64,66).
What are the key properties of 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 1091.59 g/mol, XLogP of 7.99, 23 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 14746240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).