ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate

C20H22N2O6 — CID 90154880

IUPACethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)C1=C(O)C(=O)N(c2ccc(N3CCCCC3=O)cc2)CC1
InChIInChI=1S/C20H22N2O6/c1-2-28-20(27)18(25)15-10-12-22(19(26)17(15)24)14-8-6-13(7-9-14)21-11-4-3-5-16(21)23/h6-9,24H,2-5,10-12H2,1H3
InChIKeyFQMBRRSOHCEQJV-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.88
Rot. Bonds5

About ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate

ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate (PubChem CID 90154880) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate
PubChem CID90154880
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Nameethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)C1=C(O)C(=O)N(c2ccc(N3CCCCC3=O)cc2)CC1
InChIInChI=1S/C20H22N2O6/c1-2-28-20(27)18(25)15-10-12-22(19(26)17(15)24)14-8-6-13(7-9-14)21-11-4-3-5-16(21)23/h6-9,24H,2-5,10-12H2,1H3
InChIKeyFQMBRRSOHCEQJV-UHFFFAOYSA-N
XLogP1.88
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
1-(4-aminophenyl)piperidin-2-one
CID 11458178
2-[4-(2-oxopiperidin-1-yl)phenyl]pentanamide
CID 141059160
4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
CID 10517527
2-ethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687285
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
1-(4-aminophenyl)azepan-2-one
CID 58962781
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
ethyl 2-oxo-2-(4-pyrrolidin-1-ylphenyl)acetate
CID 58229031
ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate
CID 37259431
ethyl 1-(4-methoxy-2-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 130194415
ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate
CID 117411933

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate (CID 90154880) is ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate is CCOC(=O)C(=O)C1=C(O)C(=O)N(c2ccc(N3CCCCC3=O)cc2)CC1.
What is the InChIKey of ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate?
The InChIKey is FQMBRRSOHCEQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-2-28-20(27)18(25)15-10-12-22(19(26)17(15)24)14-8-6-13(7-9-14)21-11-4-3-5-16(21)23/h6-9,24H,2-5,10-12H2,1H3.
What are the key properties of ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate?
ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate has a molecular weight of 386.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate is sourced from PubChem (CID 90154880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).