methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate

C13H20N2O4 — CID 2982548

IUPACmethyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate
SMILESCCN1C(=O)CC(N2CCC(C(=O)OC)CC2)C1=O
InChIInChI=1S/C13H20N2O4/c1-3-15-11(16)8-10(12(15)17)14-6-4-9(5-7-14)13(18)19-2/h9-10H,3-8H2,1-2H3
InChIKeyWPLBCJSZGABFJR-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.02
Rot. Bonds3

About methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate

methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate (PubChem CID 2982548) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate
PubChem CID2982548
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate
SMILESCCN1C(=O)CC(N2CCC(C(=O)OC)CC2)C1=O
InChIInChI=1S/C13H20N2O4/c1-3-15-11(16)8-10(12(15)17)14-6-4-9(5-7-14)13(18)19-2/h9-10H,3-8H2,1-2H3
InChIKeyWPLBCJSZGABFJR-UHFFFAOYSA-N
XLogP0.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate 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 methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate (CID 2982548) is methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate is CCN1C(=O)CC(N2CCC(C(=O)OC)CC2)C1=O.
What is the InChIKey of methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate?
The InChIKey is WPLBCJSZGABFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-15-11(16)8-10(12(15)17)14-6-4-9(5-7-14)13(18)19-2/h9-10H,3-8H2,1-2H3.
What are the key properties of methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate?
methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxylate is sourced from PubChem (CID 2982548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).