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

C149H279N8O15+ — CID 54556463

IUPAC2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
SMILESCCCCCCCCCCCCCCCCCC(=O)N1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C149H279N8O15/c1-26-31-36-41-46-51-56-61-66-71-76-81-86-91-96-101-130(158)152-140(6,7)110-125(111-141(152,8)9)168-135(163)120-150-106-108-157(123-138(166)171-128-116-146(18,19)155(147(20,21)117-128)133(161)104-99-94-89-84-79-74-69-64-59-54-49-44-39-34-29-4,124-139(167)172-129-118-148(22,23)156(149(24,25)119-129)134(162)105-100-95-90-85-80-75-70-65-60-55-50-45-40-35-30-5)109-107-151(121-136(164)169-126-112-142(10,11)153(143(12,13)113-126)131(159)102-97-92-87-82-77-72-67-62-57-52-47-42-37-32-27-2)122-137(165)170-127-114-144(14,15)154(145(16,17)115-127)132(160)103-98-93-88-83-78-73-68-63-58-53-48-43-38-33-28-3/h125-129,150H,26-124H2,1-25H3/q+1
InChIKeyQWDGQKUPXPNEIC-UHFFFAOYSA-N
MW2422.91 g/mol
LogP38.46
Rot. Bonds101

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

2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium (PubChem CID 54556463) has the molecular formula C149H279N8O15+ and a molecular weight of 2422.91 g/mol. Its IUPAC name is 2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium.

Molecular Properties

Compound Name2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
PubChem CID54556463
Molecular FormulaC149H279N8O15+
Molecular Weight2422.91 g/mol
Exact Mass2421.13
IUPAC Name2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
SMILESCCCCCCCCCCCCCCCCCC(=O)N1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C149H279N8O15/c1-26-31-36-41-46-51-56-61-66-71-76-81-86-91-96-101-130(158)152-140(6,7)110-125(111-141(152,8)9)168-135(163)120-150-106-108-157(123-138(166)171-128-116-146(18,19)155(147(20,21)117-128)133(161)104-99-94-89-84-79-74-69-64-59-54-49-44-39-34-29-4,124-139(167)172-129-118-148(22,23)156(149(24,25)119-129)134(162)105-100-95-90-85-80-75-70-65-60-55-50-45-40-35-30-5)109-107-151(121-136(164)169-126-112-142(10,11)153(143(12,13)113-126)131(159)102-97-92-87-82-77-72-67-62-57-52-47-42-37-32-27-2)122-137(165)170-127-114-144(14,15)154(145(16,17)115-127)132(160)103-98-93-88-83-78-73-68-63-58-53-48-43-38-33-28-3/h125-129,150H,26-124H2,1-25H3/q+1
InChIKeyQWDGQKUPXPNEIC-UHFFFAOYSA-N
XLogP38.46
TPSA248.32 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds101
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002422.91
LogP ≤ 538.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

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-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium with MolForge

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Related Compounds

(2,2,6,6-Tetramethylpiperidin-4-yl) 2-[[6-[bis[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]-6-oxohexanoyl]-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]acetate
CID 13781950
(2,2,6,6-Tetramethylpiperidin-4-yl) 2-[[10-[bis[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]-10-oxodecanoyl]-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]acetate
CID 20199434
(1,2,2,6,6-Pentamethylpiperidin-4-yl) 2-[[2-[[2-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate
CID 20199447
(2,2,6,6-Tetramethylpiperidin-4-yl) 2-[[2-[bis[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]-2-oxoacetyl]-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]acetate
CID 20199457
2-[Bis[3-oxo-3-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxypropyl]amino]ethyl-bis[3-oxo-3-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxypropyl]-[2-[[3-oxo-3-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxypropyl]amino]ethyl]azanium
CID 53666509
2-[Bis[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
CID 53686653
2-[Bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
CID 53743258
2-[2-[Bis[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
CID 53838542
(2,2,6,6-Tetramethylpiperidin-4-yl) 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]carbamoyl]pentadecanoyl-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]acetate
CID 53921829
2-[Bis[2-oxo-2-(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium
CID 53927029
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-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]azanium
CID 53940317
(2,2,6,6-Tetramethylpiperidin-4-yl) 2-[2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]propyl-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]propyl-[2-oxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]amino]acetate
CID 54011013

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?
The IUPAC name of 2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium (CID 54556463) is 2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium.
What is the SMILES notation for 2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?
The canonical SMILES for 2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium is CCCCCCCCCCCCCCCCCC(=O)N1C(C)(C)CC(OC(=O)CNCC[N+](CCN(CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)(CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?
The InChIKey is QWDGQKUPXPNEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C149H279N8O15/c1-26-31-36-41-46-51-56-61-66-71-76-81-86-91-96-101-130(158)152-140(6,7)110-125(111-141(152,8)9)168-135(163)120-150-106-108-157(123-138(166)171-128-116-146(18,19)155(147(20,21)117-128)133(161)104-99-94-89-84-79-74-69-64-59-54-49-44-39-34-29-4,124-139(167)172-129-118-148(22,23)156(149(24,25)119-129)134(162)105-100-95-90-85-80-75-70-65-60-55-50-45-40-35-30-5)109-107-151(121-136(164)169-126-112-142(10,11)153(143(12,13)113-126)131(159)102-97-92-87-82-77-72-67-62-57-52-47-42-37-32-27-2)122-137(165)170-127-114-144(14,15)154(145(16,17)115-127)132(160)103-98-93-88-83-78-73-68-63-58-53-48-43-38-33-28-3/h125-129,150H,26-124H2,1-25H3/q+1.
What are the key properties of 2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium?
2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium has a molecular weight of 2422.91 g/mol, XLogP of 38.46, 101 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl-bis[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]-[2-[[2-oxo-2-(2,2,6,6-tetramethyl-1-octadecanoylpiperidin-4-yl)oxyethyl]amino]ethyl]azanium is sourced from PubChem (CID 54556463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).