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

C20H26N2O5 — CID 2897810

IUPACethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CC(=O)N(c3ccc(OCC)cc3)C2=O)CC1
InChIInChI=1S/C20H26N2O5/c1-3-26-16-7-5-15(6-8-16)22-18(23)13-17(19(22)24)21-11-9-14(10-12-21)20(25)27-4-2/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKeyAYOKQMIIBYNDPC-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.99
Rot. Bonds6

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

ethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (PubChem CID 2897810) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
PubChem CID2897810
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nameethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CC(=O)N(c3ccc(OCC)cc3)C2=O)CC1
InChIInChI=1S/C20H26N2O5/c1-3-26-16-7-5-15(6-8-16)22-18(23)13-17(19(22)24)21-11-9-14(10-12-21)20(25)27-4-2/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKeyAYOKQMIIBYNDPC-UHFFFAOYSA-N
XLogP1.99
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (CID 2897810) is ethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CC(=O)N(c3ccc(OCC)cc3)C2=O)CC1.
What is the InChIKey of ethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The InChIKey is AYOKQMIIBYNDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-3-26-16-7-5-15(6-8-16)22-18(23)13-17(19(22)24)21-11-9-14(10-12-21)20(25)27-4-2/h5-8,14,17H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
ethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 2897810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).