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

C19H24N2O4 — CID 663254

IUPACethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CC(=O)N(c3cccc(C)c3)C2=O)C1
InChIInChI=1S/C19H24N2O4/c1-3-25-19(24)14-7-5-9-20(12-14)16-11-17(22)21(18(16)23)15-8-4-6-13(2)10-15/h4,6,8,10,14,16H,3,5,7,9,11-12H2,1-2H3
InChIKeyUCIQSIOPSQOSMU-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.90
Rot. Bonds4

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

ethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate (PubChem CID 663254) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
PubChem CID663254
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CC(=O)N(c3cccc(C)c3)C2=O)C1
InChIInChI=1S/C19H24N2O4/c1-3-25-19(24)14-7-5-9-20(12-14)16-11-17(22)21(18(16)23)15-8-4-6-13(2)10-15/h4,6,8,10,14,16H,3,5,7,9,11-12H2,1-2H3
InChIKeyUCIQSIOPSQOSMU-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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Related Compounds

1-(3-Methylphenyl)-3-morpholin-4-ylazolidine-2,5-dione
CID 2827709
Ethyl 1-[1-(3,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-3-piperidinecarboxylate
CID 2945555
Ethyl 1-{3-[(2,5-dimethylphenyl)amino]-3-oxopropyl}-3-piperidinecarboxylate hydrochloride
CID 2902546
Cambridge id 7093233
CID 2925788
Ethyl 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidine-3-carboxylate
CID 2928098
Methyl 1-[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxylate
CID 2942947
C19H22ClF3N2O4
CID 6603623
3-(4-Phenyl-piperazin-1-yl)-1-m-tolyl-pyrrolidine-2,5-dione
CID 2877140
Ethyl 1-{3-[(3,5-dimethylphenyl)amino]-3-oxopropyl}piperidine-3-carboxylate
CID 2902504
Ethyl 1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 3271364
Ethyl 1-{2,5-dioxo-1-[4-(propan-2-yl)phenyl]pyrrolidin-3-yl}piperidine-3-carboxylate
CID 2946725
Ethyl 1-[3-oxo-3-(3-toluidino)propyl]-3-piperidinecarboxylate
CID 2900275

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate (CID 663254) is ethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C2CC(=O)N(c3cccc(C)c3)C2=O)C1.
What is the InChIKey of ethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate?
The InChIKey is UCIQSIOPSQOSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-25-19(24)14-7-5-9-20(12-14)16-11-17(22)21(18(16)23)15-8-4-6-13(2)10-15/h4,6,8,10,14,16H,3,5,7,9,11-12H2,1-2H3.
What are the key properties of ethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate?
ethyl 1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-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-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate is sourced from PubChem (CID 663254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).