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

C79H138N8O15 — CID 88650685

IUPAC(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate
SMILESCCCC(=O)N1C(C)(C)CC(OC(=O)CN(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)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)CC1(C)C
InChIInChI=1S/C79H138N8O15/c1-26-31-60(88)83-70(6,7)40-55(41-71(83,8)9)98-65(93)50-80(36-38-81(51-66(94)99-56-42-72(10,11)84(61(89)32-27-2)73(12,13)43-56)52-67(95)100-57-44-74(14,15)85(62(90)33-28-3)75(16,17)45-57)37-39-82(53-68(96)101-58-46-76(18,19)86(63(91)34-29-4)77(20,21)47-58)54-69(97)102-59-48-78(22,23)87(64(92)35-30-5)79(24,25)49-59/h55-59H,26-54H2,1-25H3
InChIKeyCNYBNJCZTDXTEM-UHFFFAOYSA-N
MW1440.01 g/mol
LogP11.35
Rot. Bonds31

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

(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate (PubChem CID 88650685) has the molecular formula C79H138N8O15 and a molecular weight of 1440.01 g/mol. Its IUPAC name is (1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate.

Molecular Properties

Compound Name(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate
PubChem CID88650685
Molecular FormulaC79H138N8O15
Molecular Weight1440.01 g/mol
Exact Mass1439.03
IUPAC Name(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate
SMILESCCCC(=O)N1C(C)(C)CC(OC(=O)CN(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)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)CC1(C)C
InChIInChI=1S/C79H138N8O15/c1-26-31-60(88)83-70(6,7)40-55(41-71(83,8)9)98-65(93)50-80(36-38-81(51-66(94)99-56-42-72(10,11)84(61(89)32-27-2)73(12,13)43-56)52-67(95)100-57-44-74(14,15)85(62(90)33-28-3)75(16,17)45-57)37-39-82(53-68(96)101-58-46-76(18,19)86(63(91)34-29-4)77(20,21)47-58)54-69(97)102-59-48-78(22,23)87(64(92)35-30-5)79(24,25)49-59/h55-59H,26-54H2,1-25H3
InChIKeyCNYBNJCZTDXTEM-UHFFFAOYSA-N
XLogP11.35
TPSA242.77 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001440.01
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate?
The IUPAC name of (1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate (CID 88650685) is (1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate.
What is the SMILES notation for (1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate?
The canonical SMILES for (1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate is CCCC(=O)N1C(C)(C)CC(OC(=O)CN(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)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)CC1(C)C.
What is the InChIKey of (1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate?
The InChIKey is CNYBNJCZTDXTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H138N8O15/c1-26-31-60(88)83-70(6,7)40-55(41-71(83,8)9)98-65(93)50-80(36-38-81(51-66(94)99-56-42-72(10,11)84(61(89)32-27-2)73(12,13)43-56)52-67(95)100-57-44-74(14,15)85(62(90)33-28-3)75(16,17)45-57)37-39-82(53-68(96)101-58-46-76(18,19)86(63(91)34-29-4)77(20,21)47-58)54-69(97)102-59-48-78(22,23)87(64(92)35-30-5)79(24,25)49-59/h55-59H,26-54H2,1-25H3.
What are the key properties of (1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate?
(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate has a molecular weight of 1440.01 g/mol, XLogP of 11.35, 31 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-butanoyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate is sourced from PubChem (CID 88650685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).