ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate

C18H21FN2O4 — CID 2859452

IUPACethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C18H21FN2O4/c1-2-25-18(24)12-7-9-20(10-8-12)15-11-16(22)21(17(15)23)14-5-3-13(19)4-6-14/h3-6,12,15H,2,7-11H2,1H3
InChIKeyWZXXSNXDAQWSTJ-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.73
Rot. Bonds4

About ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate

ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (PubChem CID 2859452) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
PubChem CID2859452
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Nameethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C18H21FN2O4/c1-2-25-18(24)12-7-9-20(10-8-12)15-11-16(22)21(17(15)23)14-5-3-13(19)4-6-14/h3-6,12,15H,2,7-11H2,1H3
InChIKeyWZXXSNXDAQWSTJ-UHFFFAOYSA-N
XLogP1.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (CID 2859452) is ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The InChIKey is WZXXSNXDAQWSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-2-25-18(24)12-7-9-20(10-8-12)15-11-16(22)21(17(15)23)14-5-3-13(19)4-6-14/h3-6,12,15H,2,7-11H2,1H3.
What are the key properties of ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate has a molecular weight of 348.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 2859452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).