2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium

C78H145N10O12+ — CID 54180094

IUPAC2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
SMILESCN1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CCN(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C78H145N10O12/c1-67(2)37-55(38-68(3,4)80(67)25)95-61(89)49-79-31-35-88(53-65(93)99-59-45-75(17,18)84(29)76(19,20)46-59,54-66(94)100-60-47-77(21,22)85(30)78(23,24)48-60)36-34-86(50-62(90)96-56-39-69(5,6)81(26)70(7,8)40-56)32-33-87(51-63(91)97-57-41-71(9,10)82(27)72(11,12)42-57)52-64(92)98-58-43-73(13,14)83(28)74(15,16)44-58/h55-60,79H,31-54H2,1-30H3/q+1
InChIKeyXUAPDMQJJJKGAH-UHFFFAOYSA-N
MW1415.08 g/mol
LogP9.16
Rot. Bonds27

About 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium

2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium (PubChem CID 54180094) has the molecular formula C78H145N10O12+ and a molecular weight of 1415.08 g/mol. Its IUPAC name is 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium.

Molecular Properties

Compound Name2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
PubChem CID54180094
Molecular FormulaC78H145N10O12+
Molecular Weight1415.08 g/mol
Exact Mass1414.10
IUPAC Name2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
SMILESCN1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CCN(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C78H145N10O12/c1-67(2)37-55(38-68(3,4)80(67)25)95-61(89)49-79-31-35-88(53-65(93)99-59-45-75(17,18)84(29)76(19,20)46-59,54-66(94)100-60-47-77(21,22)85(30)78(23,24)48-60)36-34-86(50-62(90)96-56-39-69(5,6)81(26)70(7,8)40-56)32-33-87(51-63(91)97-57-41-71(9,10)82(27)72(11,12)42-57)52-64(92)98-58-43-73(13,14)83(28)74(15,16)44-58/h55-60,79H,31-54H2,1-30H3/q+1
InChIKeyXUAPDMQJJJKGAH-UHFFFAOYSA-N
XLogP9.16
TPSA195.75 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.08
LogP ≤ 59.16
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 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?
The IUPAC name of 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium (CID 54180094) is 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium.
What is the SMILES notation for 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?
The canonical SMILES for 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium is CN1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CCN(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?
The InChIKey is XUAPDMQJJJKGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H145N10O12/c1-67(2)37-55(38-68(3,4)80(67)25)95-61(89)49-79-31-35-88(53-65(93)99-59-45-75(17,18)84(29)76(19,20)46-59,54-66(94)100-60-47-77(21,22)85(30)78(23,24)48-60)36-34-86(50-62(90)96-56-39-69(5,6)81(26)70(7,8)40-56)32-33-87(51-63(91)97-57-41-71(9,10)82(27)72(11,12)42-57)52-64(92)98-58-43-73(13,14)83(28)74(15,16)44-58/h55-60,79H,31-54H2,1-30H3/q+1.
What are the key properties of 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?
2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium has a molecular weight of 1415.08 g/mol, XLogP of 9.16, 27 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium is sourced from PubChem (CID 54180094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).