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

C19H24N2O4 — CID 17190530

IUPACethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CC(=O)N(c3ccccc3C)C2=O)CC1
InChIInChI=1S/C19H24N2O4/c1-3-25-19(24)14-8-10-20(11-9-14)16-12-17(22)21(18(16)23)15-7-5-4-6-13(15)2/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyCBVAXCUXFRGPMX-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.90
Rot. Bonds4

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

ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (PubChem CID 17190530) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
PubChem CID17190530
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CC(=O)N(c3ccccc3C)C2=O)CC1
InChIInChI=1S/C19H24N2O4/c1-3-25-19(24)14-8-10-20(11-9-14)16-12-17(22)21(18(16)23)15-7-5-4-6-13(15)2/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyCBVAXCUXFRGPMX-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate (CID 17190530) is ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CC(=O)N(c3ccccc3C)C2=O)CC1.
What is the InChIKey of ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
The InChIKey is CBVAXCUXFRGPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-25-19(24)14-8-10-20(11-9-14)16-12-17(22)21(18(16)23)15-7-5-4-6-13(15)2/h4-7,14,16H,3,8-12H2,1-2H3.
What are the key properties of ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate?
ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 17190530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).