2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium

C79H139N8O15+ — CID 54291564

About 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium

2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium (PubChem CID 54291564) has the molecular formula C79H139N8O15+ and a molecular weight of 1441.02 g/mol. Its IUPAC name is 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium.

Molecular Properties

• Compound Name: 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium
• PubChem CID: 54291564
• Molecular Formula: C79H139N8O15+
• Molecular Weight: 1441.02 g/mol
• Exact Mass: 1440.04
• IUPAC Name: 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium
• SMILES: CCCC(=O)N1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CC(=O)OC2CC(C)(C)N(C(=O)CCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCC)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C(=O)CCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCC)C(C)(C)C2)CC1(C)C
• InChI: InChI=1S/C79H139N8O15/c1-26-31-60(88)82-70(6,7)40-55(41-71(82,8)9)98-65(93)50-80-36-38-87(53-68(96)101-58-46-76(18,19)85(63(91)34-29-4)77(20,21)47-58,54-69(97)102-59-48-78(22,23)86(64(92)35-30-5)79(24,25)49-59)39-37-81(51-66(94)99-56-42-72(10,11)83(61(89)32-27-2)73(12,13)43-56)52-67(95)100-57-44-74(14,15)84(62(90)33-28-3)75(16,17)45-57/h55-59,80H,26-54H2,1-25H3/q+1
• InChIKey: JGPOAMYIZLMCSB-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 248.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 31
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1441.02
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium?

The IUPAC name of 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium (CID 54291564) is 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium.

What is the SMILES notation for 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium?

The canonical SMILES for 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium is CCCC(=O)N1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CC(=O)OC2CC(C)(C)N(C(=O)CCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCC)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C(=O)CCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCC)C(C)(C)C2)CC1(C)C.

What is the InChIKey of 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium?

The InChIKey is JGPOAMYIZLMCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H139N8O15/c1-26-31-60(88)82-70(6,7)40-55(41-71(82,8)9)98-65(93)50-80-36-38-87(53-68(96)101-58-46-76(18,19)85(63(91)34-29-4)77(20,21)47-58,54-69(97)102-59-48-78(22,23)86(64(92)35-30-5)79(24,25)49-59)39-37-81(51-66(94)99-56-42-72(10,11)83(61(89)32-27-2)73(12,13)43-56)52-67(95)100-57-44-74(14,15)84(62(90)33-28-3)75(16,17)45-57/h55-59,80H,26-54H2,1-25H3/q+1.

What are the key properties of 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium?

2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium has a molecular weight of 1441.02 g/mol, XLogP of 11.15, 31 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl-bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium is sourced from PubChem (CID 54291564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).