methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate

C19H24N2O4 — CID 2942947

IUPACmethyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCCc1ccc(N2C(=O)CC(N3CCC(C(=O)OC)CC3)C2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-3-13-4-6-15(7-5-13)21-17(22)12-16(18(21)23)20-10-8-14(9-11-20)19(24)25-2/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyJUABURDTDFQKNM-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.77
Rot. Bonds4

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

methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (PubChem CID 2942947) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
PubChem CID2942947
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCCc1ccc(N2C(=O)CC(N3CCC(C(=O)OC)CC3)C2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-3-13-4-6-15(7-5-13)21-17(22)12-16(18(21)23)20-10-8-14(9-11-20)19(24)25-2/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyJUABURDTDFQKNM-UHFFFAOYSA-N
XLogP1.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.77
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 methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (CID 2942947) is methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is CCc1ccc(N2C(=O)CC(N3CCC(C(=O)OC)CC3)C2=O)cc1.
What is the InChIKey of methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The InChIKey is JUABURDTDFQKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-13-4-6-15(7-5-13)21-17(22)12-16(18(21)23)20-10-8-14(9-11-20)19(24)25-2/h4-7,14,16H,3,8-12H2,1-2H3.
What are the key properties of methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 2942947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).