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

C71H122N8O15 — CID 54049257

IUPAC(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate
SMILESCC(=O)N1C(C)(C)CC(OC(=O)CN(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(C)N(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(C)N(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/C71H122N8O15/c1-45(38-72(40-57(85)90-52-28-62(8,9)75(47(3)80)63(10,11)29-52)41-58(86)91-53-30-64(12,13)76(48(4)81)65(14,15)31-53)73(42-59(87)92-54-32-66(16,17)77(49(5)82)67(18,19)33-54)39-46(2)74(43-60(88)93-55-34-68(20,21)78(50(6)83)69(22,23)35-55)44-61(89)94-56-36-70(24,25)79(51(7)84)71(26,27)37-56/h45-46,52-56H,28-44H2,1-27H3
InChIKeyLRSVFPGDLCYNNE-UHFFFAOYSA-N
MW1327.80 g/mol
LogP8.23
Rot. Bonds21

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

(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate (PubChem CID 54049257) has the molecular formula C71H122N8O15 and a molecular weight of 1327.80 g/mol. Its IUPAC name is (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate.

Molecular Properties

Compound Name(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate
PubChem CID54049257
Molecular FormulaC71H122N8O15
Molecular Weight1327.80 g/mol
Exact Mass1326.90
IUPAC Name(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate
SMILESCC(=O)N1C(C)(C)CC(OC(=O)CN(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(C)N(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(C)N(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/C71H122N8O15/c1-45(38-72(40-57(85)90-52-28-62(8,9)75(47(3)80)63(10,11)29-52)41-58(86)91-53-30-64(12,13)76(48(4)81)65(14,15)31-53)73(42-59(87)92-54-32-66(16,17)77(49(5)82)67(18,19)33-54)39-46(2)74(43-60(88)93-55-34-68(20,21)78(50(6)83)69(22,23)35-55)44-61(89)94-56-36-70(24,25)79(51(7)84)71(26,27)37-56/h45-46,52-56H,28-44H2,1-27H3
InChIKeyLRSVFPGDLCYNNE-UHFFFAOYSA-N
XLogP8.23
TPSA242.77 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms94
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001327.80
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate?
The IUPAC name of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate (CID 54049257) is (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate.
What is the SMILES notation for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate?
The canonical SMILES for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate is CC(=O)N1C(C)(C)CC(OC(=O)CN(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(C)N(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC(C)N(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 (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate?
The InChIKey is LRSVFPGDLCYNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H122N8O15/c1-45(38-72(40-57(85)90-52-28-62(8,9)75(47(3)80)63(10,11)29-52)41-58(86)91-53-30-64(12,13)76(48(4)81)65(14,15)31-53)73(42-59(87)92-54-32-66(16,17)77(49(5)82)67(18,19)33-54)39-46(2)74(43-60(88)93-55-34-68(20,21)78(50(6)83)69(22,23)35-55)44-61(89)94-56-36-70(24,25)79(51(7)84)71(26,27)37-56/h45-46,52-56H,28-44H2,1-27H3.
What are the key properties of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate?
(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate has a molecular weight of 1327.80 g/mol, XLogP of 8.23, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[[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]-[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]propyl]amino]propyl]amino]acetate is sourced from PubChem (CID 54049257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).