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

C69H118N8O15 — CID 88597836

IUPAC(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate
SMILESCC(=O)N1C(C)(C)CC(OC(=O)CN(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)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)CC1(C)C
InChIInChI=1S/C69H118N8O15/c1-45(78)73-60(6,7)30-50(31-61(73,8)9)88-55(83)40-70(26-28-71(41-56(84)89-51-32-62(10,11)74(46(2)79)63(12,13)33-51)42-57(85)90-52-34-64(14,15)75(47(3)80)65(16,17)35-52)27-29-72(43-58(86)91-53-36-66(18,19)76(48(4)81)67(20,21)37-53)44-59(87)92-54-38-68(22,23)77(49(5)82)69(24,25)39-54/h50-54H,26-44H2,1-25H3
InChIKeyXEFDHPBMCSCHDR-UHFFFAOYSA-N
MW1299.74 g/mol
LogP7.45
Rot. Bonds21

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

(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate (PubChem CID 88597836) has the molecular formula C69H118N8O15 and a molecular weight of 1299.74 g/mol. Its IUPAC name is (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate.

Molecular Properties

Compound Name(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate
PubChem CID88597836
Molecular FormulaC69H118N8O15
Molecular Weight1299.74 g/mol
Exact Mass1298.87
IUPAC Name(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate
SMILESCC(=O)N1C(C)(C)CC(OC(=O)CN(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)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)CC1(C)C
InChIInChI=1S/C69H118N8O15/c1-45(78)73-60(6,7)30-50(31-61(73,8)9)88-55(83)40-70(26-28-71(41-56(84)89-51-32-62(10,11)74(46(2)79)63(12,13)33-51)42-57(85)90-52-34-64(14,15)75(47(3)80)65(16,17)35-52)27-29-72(43-58(86)91-53-36-66(18,19)76(48(4)81)67(20,21)37-53)44-59(87)92-54-38-68(22,23)77(49(5)82)69(24,25)39-54/h50-54H,26-44H2,1-25H3
InChIKeyXEFDHPBMCSCHDR-UHFFFAOYSA-N
XLogP7.45
TPSA242.77 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001299.74
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate?
The IUPAC name of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate (CID 88597836) is (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate.
What is the SMILES notation for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate?
The canonical SMILES for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate is CC(=O)N1C(C)(C)CC(OC(=O)CN(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)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)CC1(C)C.
What is the InChIKey of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate?
The InChIKey is XEFDHPBMCSCHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H118N8O15/c1-45(78)73-60(6,7)30-50(31-61(73,8)9)88-55(83)40-70(26-28-71(41-56(84)89-51-32-62(10,11)74(46(2)79)63(12,13)33-51)42-57(85)90-52-34-64(14,15)75(47(3)80)65(16,17)35-52)27-29-72(43-58(86)91-53-36-66(18,19)76(48(4)81)67(20,21)37-53)44-59(87)92-54-38-68(22,23)77(49(5)82)69(24,25)39-54/h50-54H,26-44H2,1-25H3.
What are the key properties of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate?
(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate has a molecular weight of 1299.74 g/mol, XLogP of 7.45, 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-[bis[2-[bis[2-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetate is sourced from PubChem (CID 88597836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).