ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate

C24H23N3O3 — CID 127040069

IUPACethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate
SMILESCCOC(=O)C1C(=O)CC(c2cccnc2)N(c2ccccc2)C1c1cccnc1
InChIInChI=1S/C24H23N3O3/c1-2-30-24(29)22-21(28)14-20(17-8-6-12-25-15-17)27(19-10-4-3-5-11-19)23(22)18-9-7-13-26-16-18/h3-13,15-16,20,22-23H,2,14H2,1H3
InChIKeyHAOGGTWLSZGSCY-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.92
Rot. Bonds5

About ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate

ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate (PubChem CID 127040069) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate
PubChem CID127040069
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Nameethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate
SMILESCCOC(=O)C1C(=O)CC(c2cccnc2)N(c2ccccc2)C1c1cccnc1
InChIInChI=1S/C24H23N3O3/c1-2-30-24(29)22-21(28)14-20(17-8-6-12-25-15-17)27(19-10-4-3-5-11-19)23(22)18-9-7-13-26-16-18/h3-13,15-16,20,22-23H,2,14H2,1H3
InChIKeyHAOGGTWLSZGSCY-UHFFFAOYSA-N
XLogP3.92
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate (CID 127040069) is ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate is CCOC(=O)C1C(=O)CC(c2cccnc2)N(c2ccccc2)C1c1cccnc1.
What is the InChIKey of ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate?
The InChIKey is HAOGGTWLSZGSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-30-24(29)22-21(28)14-20(17-8-6-12-25-15-17)27(19-10-4-3-5-11-19)23(22)18-9-7-13-26-16-18/h3-13,15-16,20,22-23H,2,14H2,1H3.
What are the key properties of ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate?
ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1-phenyl-2,6-dipyridin-3-ylpiperidine-3-carboxylate is sourced from PubChem (CID 127040069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).