(2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate

C16H24N2O4 — CID 174848384

IUPAC(2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate
SMILESCC1(C)CCCC(C)(C)N1CCC(=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C16H24N2O4/c1-15(2)9-5-10-16(3,4)17(15)11-8-14(21)22-18-12(19)6-7-13(18)20/h6-7H,5,8-11H2,1-4H3
InChIKeyNCENBLYIVNSUKJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.80
Rot. Bonds4

About (2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate

(2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate (PubChem CID 174848384) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate
PubChem CID174848384
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate
SMILESCC1(C)CCCC(C)(C)N1CCC(=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C16H24N2O4/c1-15(2)9-5-10-16(3,4)17(15)11-8-14(21)22-18-12(19)6-7-13(18)20/h6-7H,5,8-11H2,1-4H3
InChIKeyNCENBLYIVNSUKJ-UHFFFAOYSA-N
XLogP1.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate
CID 54231034
(2,5-dioxopyrrol-1-yl) 7-methyloctanoate
CID 138576057
2,2,6,6-tetramethyl-1-[10-(2,2,6,6-tetramethylpiperidin-1-yl)decyl]piperidine
CID 46232797
(2,5-dioxopyrrolidin-1-yl) 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoate
CID 146215567
bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate
CID 54182156
(2,5-dioxopyrrol-1-yl) carbonochloridate
CID 87560005
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078334
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
CID 77078335
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170899516
[[5-(2,5-dioxopyrrol-1-yl)oxy-5-oxopentanoyl]-methylamino] cyclooct-4-ene-1-carboxylate
CID 163425033
[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid
CID 118342136
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
CID 159972941

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate (CID 174848384) is (2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate is CC1(C)CCCC(C)(C)N1CCC(=O)ON1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate?
The InChIKey is NCENBLYIVNSUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-15(2)9-5-10-16(3,4)17(15)11-8-14(21)22-18-12(19)6-7-13(18)20/h6-7H,5,8-11H2,1-4H3.
What are the key properties of (2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate?
(2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate has a molecular weight of 308.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) 3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoate is sourced from PubChem (CID 174848384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).