(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate

C13H21NO4 — CID 15266437

IUPAC(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate
SMILESCC1(C)CC(=O)N(COC(=O)C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H21NO4/c1-12(2,3)11(17)18-8-14-9(15)6-13(4,5)7-10(14)16/h6-8H2,1-5H3
InChIKeyPKDONJZIOLDLNZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.71
Rot. Bonds2

About (4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate

(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate (PubChem CID 15266437) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is (4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate
PubChem CID15266437
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate
SMILESCC1(C)CC(=O)N(COC(=O)C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H21NO4/c1-12(2,3)11(17)18-8-14-9(15)6-13(4,5)7-10(14)16/h6-8H2,1-5H3
InChIKeyPKDONJZIOLDLNZ-UHFFFAOYSA-N
XLogP1.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate (CID 15266437) is (4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate is CC1(C)CC(=O)N(COC(=O)C(C)(C)C)C(=O)C1.
What is the InChIKey of (4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is PKDONJZIOLDLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-12(2,3)11(17)18-8-14-9(15)6-13(4,5)7-10(14)16/h6-8H2,1-5H3.
What are the key properties of (4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate?
(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 255.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 15266437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).