[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate

C26H26N2O6 — CID 24593018

IUPAC[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
SMILESCC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C26H26N2O6/c1-25(2)13-18(29)14-26(3,4)28(25)21(30)15-34-24(33)16-9-11-17(12-10-16)27-22(31)19-7-5-6-8-20(19)23(27)32/h5-12H,13-15H2,1-4H3
InChIKeyWSCJMISTHQDDDM-UHFFFAOYSA-N
MW462.50 g/mol
LogP3.39
Rot. Bonds4

About [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate

[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate (PubChem CID 24593018) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
PubChem CID24593018
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
SMILESCC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C26H26N2O6/c1-25(2)13-18(29)14-26(3,4)28(25)21(30)15-34-24(33)16-9-11-17(12-10-16)27-22(31)19-7-5-6-8-20(19)23(27)32/h5-12H,13-15H2,1-4H3
InChIKeyWSCJMISTHQDDDM-UHFFFAOYSA-N
XLogP3.39
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
The IUPAC name of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate (CID 24593018) is [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate.
What is the SMILES notation for [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
The canonical SMILES for [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate is CC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
The InChIKey is WSCJMISTHQDDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-25(2)13-18(29)14-26(3,4)28(25)21(30)15-34-24(33)16-9-11-17(12-10-16)27-22(31)19-7-5-6-8-20(19)23(27)32/h5-12H,13-15H2,1-4H3.
What are the key properties of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate has a molecular weight of 462.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate is sourced from PubChem (CID 24593018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).