bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate

C48H66N4O10 — CID 139789335

IUPACbis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(ON3C(=O)CC(c4ccccc4)C3=O)C(C)(C)C2)CC(C)(C)N1ON1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C48H66N4O10/c1-45(2)29-35(30-46(3,4)51(45)61-49-39(53)27-37(43(49)57)33-21-15-13-16-22-33)59-41(55)25-19-11-9-10-12-20-26-42(56)60-36-31-47(5,6)52(48(7,8)32-36)62-50-40(54)28-38(44(50)58)34-23-17-14-18-24-34/h13-18,21-24,35-38H,9-12,19-20,25-32H2,1-8H3
InChIKeyZSPIHRLJSKYLRG-UHFFFAOYSA-N
MW859.07 g/mol
LogP8.02
Rot. Bonds17

About bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate

bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate (PubChem CID 139789335) has the molecular formula C48H66N4O10 and a molecular weight of 859.07 g/mol. Its IUPAC name is bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate.

Molecular Properties

Compound Namebis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate
PubChem CID139789335
Molecular FormulaC48H66N4O10
Molecular Weight859.07 g/mol
Exact Mass858.48
IUPAC Namebis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(ON3C(=O)CC(c4ccccc4)C3=O)C(C)(C)C2)CC(C)(C)N1ON1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C48H66N4O10/c1-45(2)29-35(30-46(3,4)51(45)61-49-39(53)27-37(43(49)57)33-21-15-13-16-22-33)59-41(55)25-19-11-9-10-12-20-26-42(56)60-36-31-47(5,6)52(48(7,8)32-36)62-50-40(54)28-38(44(50)58)34-23-17-14-18-24-34/h13-18,21-24,35-38H,9-12,19-20,25-32H2,1-8H3
InChIKeyZSPIHRLJSKYLRG-UHFFFAOYSA-N
XLogP8.02
TPSA152.30 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500859.07
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate?
The IUPAC name of bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate (CID 139789335) is bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate.
What is the SMILES notation for bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate?
The canonical SMILES for bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate is CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(ON3C(=O)CC(c4ccccc4)C3=O)C(C)(C)C2)CC(C)(C)N1ON1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate?
The InChIKey is ZSPIHRLJSKYLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H66N4O10/c1-45(2)29-35(30-46(3,4)51(45)61-49-39(53)27-37(43(49)57)33-21-15-13-16-22-33)59-41(55)25-19-11-9-10-12-20-26-42(56)60-36-31-47(5,6)52(48(7,8)32-36)62-50-40(54)28-38(44(50)58)34-23-17-14-18-24-34/h13-18,21-24,35-38H,9-12,19-20,25-32H2,1-8H3.
What are the key properties of bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate?
bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate has a molecular weight of 859.07 g/mol, XLogP of 8.02, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(2,5-dioxo-3-phenylpyrrolidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate is sourced from PubChem (CID 139789335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).