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

C84H145N10O18+ — CID 88597862

IUPACbis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium
SMILESCC(=O)N1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CCN(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C84H145N10O18/c1-55(95)88-73(7,8)37-61(38-74(88,9)10)107-67(101)49-85-31-35-94(53-71(105)111-65-45-81(23,24)92(59(5)99)82(25,26)46-65,54-72(106)112-66-47-83(27,28)93(60(6)100)84(29,30)48-66)36-34-86(50-68(102)108-62-39-75(11,12)89(56(2)96)76(13,14)40-62)32-33-87(51-69(103)109-63-41-77(15,16)90(57(3)97)78(17,18)42-63)52-70(104)110-64-43-79(19,20)91(58(4)98)80(21,22)44-64/h61-66,85H,31-54H2,1-30H3/q+1
InChIKeyHJALUZOZPPQCNO-UHFFFAOYSA-N
MW1583.14 g/mol
LogP8.66
Rot. Bonds27

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

bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium (PubChem CID 88597862) has the molecular formula C84H145N10O18+ and a molecular weight of 1583.14 g/mol. Its IUPAC name is bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium.

Molecular Properties

Compound Namebis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium
PubChem CID88597862
Molecular FormulaC84H145N10O18+
Molecular Weight1583.14 g/mol
Exact Mass1582.07
IUPAC Namebis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium
SMILESCC(=O)N1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CCN(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C84H145N10O18/c1-55(95)88-73(7,8)37-61(38-74(88,9)10)107-67(101)49-85-31-35-94(53-71(105)111-65-45-81(23,24)92(59(5)99)82(25,26)46-65,54-72(106)112-66-47-83(27,28)93(60(6)100)84(29,30)48-66)36-34-86(50-68(102)108-62-39-75(11,12)89(56(2)96)76(13,14)40-62)32-33-87(51-69(103)109-63-41-77(15,16)90(57(3)97)78(17,18)42-63)52-70(104)110-64-43-79(19,20)91(58(4)98)80(21,22)44-64/h61-66,85H,31-54H2,1-30H3/q+1
InChIKeyHJALUZOZPPQCNO-UHFFFAOYSA-N
XLogP8.66
TPSA298.17 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.14
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

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'}

Analyze bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium with MolForge

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Related Compounds

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CID 53666509
CID 53666509
CID 53686653
CID 53686653
CID 53743258
CID 53743258
CID 53838542
CID 53838542
CID 53927029
CID 53927029
CID 53940317
CID 53940317
CID 54011013
CID 54011013

Frequently Asked Questions

What is the IUPAC name of bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium?
The IUPAC name of bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium (CID 88597862) is bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium.
What is the SMILES notation for bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium?
The canonical SMILES for bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium is CC(=O)N1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CCN(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium?
The InChIKey is HJALUZOZPPQCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H145N10O18/c1-55(95)88-73(7,8)37-61(38-74(88,9)10)107-67(101)49-85-31-35-94(53-71(105)111-65-45-81(23,24)92(59(5)99)82(25,26)46-65,54-72(106)112-66-47-83(27,28)93(60(6)100)84(29,30)48-66)36-34-86(50-68(102)108-62-39-75(11,12)89(56(2)96)76(13,14)40-62)32-33-87(51-69(103)109-63-41-77(15,16)90(57(3)97)78(17,18)42-63)52-70(104)110-64-43-79(19,20)91(58(4)98)80(21,22)44-64/h61-66,85H,31-54H2,1-30H3/q+1.
What are the key properties of bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium?
bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium has a molecular weight of 1583.14 g/mol, XLogP of 8.66, 27 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]-[2-[[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]azanium is sourced from PubChem (CID 88597862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).