ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate

C18H22N2O4 — CID 2928098

IUPACethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CC(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C18H22N2O4/c1-2-24-18(23)13-7-6-10-19(12-13)15-11-16(21)20(17(15)22)14-8-4-3-5-9-14/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3
InChIKeyYUTNOUNFBHMYJU-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.59
Rot. Bonds4

About ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate

ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate (PubChem CID 2928098) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate
PubChem CID2928098
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CC(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C18H22N2O4/c1-2-24-18(23)13-7-6-10-19(12-13)15-11-16(21)20(17(15)22)14-8-4-3-5-9-14/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3
InChIKeyYUTNOUNFBHMYJU-UHFFFAOYSA-N
XLogP1.59
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.59
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-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate (CID 2928098) is ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C2CC(=O)N(c3ccccc3)C2=O)C1.
What is the InChIKey of ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate?
The InChIKey is YUTNOUNFBHMYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-24-18(23)13-7-6-10-19(12-13)15-11-16(21)20(17(15)22)14-8-4-3-5-9-14/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3.
What are the key properties of ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate?
ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate is sourced from PubChem (CID 2928098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).