bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate

C32H56N2O6 — CID 20778574

IUPACbis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
SMILESCCCCCCCC(C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1
InChIInChI=1S/C32H56N2O6/c1-12-13-14-15-16-17-26(27(37)39-24-18-29(4,5)33(22(2)35)30(6,7)19-24)28(38)40-25-20-31(8,9)34(23(3)36)32(10,11)21-25/h24-26H,12-21H2,1-11H3
InChIKeyGIGAWCRRCOWFLQ-UHFFFAOYSA-N
MW564.81 g/mol
LogP6.19
Rot. Bonds10

About bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate

bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate (PubChem CID 20778574) has the molecular formula C32H56N2O6 and a molecular weight of 564.81 g/mol. Its IUPAC name is bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate.

Molecular Properties

Compound Namebis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
PubChem CID20778574
Molecular FormulaC32H56N2O6
Molecular Weight564.81 g/mol
Exact Mass564.41
IUPAC Namebis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
SMILESCCCCCCCC(C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1
InChIInChI=1S/C32H56N2O6/c1-12-13-14-15-16-17-26(27(37)39-24-18-29(4,5)33(22(2)35)30(6,7)19-24)28(38)40-25-20-31(8,9)34(23(3)36)32(10,11)21-25/h24-26H,12-21H2,1-11H3
InChIKeyGIGAWCRRCOWFLQ-UHFFFAOYSA-N
XLogP6.19
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.81
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate
CID 19892356
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 3-O-(2,2,6-trimethylpiperidin-4-yl) 2-heptylpropanedioate
CID 70965524
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate
CID 154095957
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
CID 126739205
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 167105370
N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N-dodecylacetamide
CID 71322405
dimethyl 2-dodecylpropanedioate
CID 158514957
didocosyl 2-icosylpropanedioate
CID 139968255
dioctadecyl 2-heptadecylpropanedioate
CID 146623140
diicosyl 2-icosylpropanedioate
CID 139968248
cyclopropyl 2-hexyldecanoate
CID 174570245

Frequently Asked Questions

What is the IUPAC name of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate?
The IUPAC name of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate (CID 20778574) is bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate.
What is the SMILES notation for bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate?
The canonical SMILES for bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate is CCCCCCCC(C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1.
What is the InChIKey of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate?
The InChIKey is GIGAWCRRCOWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O6/c1-12-13-14-15-16-17-26(27(37)39-24-18-29(4,5)33(22(2)35)30(6,7)19-24)28(38)40-25-20-31(8,9)34(23(3)36)32(10,11)21-25/h24-26H,12-21H2,1-11H3.
What are the key properties of bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate?
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate has a molecular weight of 564.81 g/mol, XLogP of 6.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate is sourced from PubChem (CID 20778574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).