tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

C52H86N4O12 — CID 14549313

IUPACtetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCC(=O)N1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C52H86N4O12/c1-31(57)53-45(5,6)23-35(24-46(53,7)8)65-41(61)21-39(43(63)67-37-27-49(13,14)55(33(3)59)50(15,16)28-37)40(44(64)68-38-29-51(17,18)56(34(4)60)52(19,20)30-38)22-42(62)66-36-25-47(9,10)54(32(2)58)48(11,12)26-36/h35-40H,21-30H2,1-20H3
InChIKeyIQRJSRQFYMRAIO-UHFFFAOYSA-N
MW959.28 g/mol
LogP7.44
Rot. Bonds11

About tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (PubChem CID 14549313) has the molecular formula C52H86N4O12 and a molecular weight of 959.28 g/mol. Its IUPAC name is tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
PubChem CID14549313
Molecular FormulaC52H86N4O12
Molecular Weight959.28 g/mol
Exact Mass958.62
IUPAC Nametetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCC(=O)N1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C52H86N4O12/c1-31(57)53-45(5,6)23-35(24-46(53,7)8)65-41(61)21-39(43(63)67-37-27-49(13,14)55(33(3)59)50(15,16)28-37)40(44(64)68-38-29-51(17,18)56(34(4)60)52(19,20)30-38)22-42(62)66-36-25-47(9,10)54(32(2)58)48(11,12)26-36/h35-40H,21-30H2,1-20H3
InChIKeyIQRJSRQFYMRAIO-UHFFFAOYSA-N
XLogP7.44
TPSA186.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.28
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The IUPAC name of tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (CID 14549313) is tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is CC(=O)N1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C(C)=O)C(C)(C)C2)CC1(C)C.
What is the InChIKey of tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The InChIKey is IQRJSRQFYMRAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H86N4O12/c1-31(57)53-45(5,6)23-35(24-46(53,7)8)65-41(61)21-39(43(63)67-37-27-49(13,14)55(33(3)59)50(15,16)28-37)40(44(64)68-38-29-51(17,18)56(34(4)60)52(19,20)30-38)22-42(62)66-36-25-47(9,10)54(32(2)58)48(11,12)26-36/h35-40H,21-30H2,1-20H3.
What are the key properties of tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate has a molecular weight of 959.28 g/mol, XLogP of 7.44, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 14549313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).