5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid

C19H22N2O6 — CID 43861105

IUPAC5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
SMILESCCC1CCCCN1C1CC(=O)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O
InChIInChI=1S/C19H22N2O6/c1-2-13-5-3-4-6-20(13)15-10-16(22)21(17(15)23)14-8-11(18(24)25)7-12(9-14)19(26)27/h7-9,13,15H,2-6,10H2,1H3,(H,24,25)(H,26,27)
InChIKeyUQAMRVBDHRIMFI-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.98
Rot. Bonds5

About 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid

5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid (PubChem CID 43861105) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
PubChem CID43861105
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
SMILESCCC1CCCCN1C1CC(=O)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O
InChIInChI=1S/C19H22N2O6/c1-2-13-5-3-4-6-20(13)15-10-16(22)21(17(15)23)14-8-11(18(24)25)7-12(9-14)19(26)27/h7-9,13,15H,2-6,10H2,1H3,(H,24,25)(H,26,27)
InChIKeyUQAMRVBDHRIMFI-UHFFFAOYSA-N
XLogP1.98
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid (CID 43861105) is 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid is CCC1CCCCN1C1CC(=O)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O.
What is the InChIKey of 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid?
The InChIKey is UQAMRVBDHRIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-2-13-5-3-4-6-20(13)15-10-16(22)21(17(15)23)14-8-11(18(24)25)7-12(9-14)19(26)27/h7-9,13,15H,2-6,10H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid?
5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid has a molecular weight of 374.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-ethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 43861105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).