ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate

C26H28N2O6 — CID 55504842

IUPACethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C26H28N2O6/c1-3-33-26(32)18-12-14-27(15-13-18)25(31)17(2)34-23(29)16-28-21-10-6-4-8-19(21)24(30)20-9-5-7-11-22(20)28/h4-11,17-18H,3,12-16H2,1-2H3
InChIKeyUYXBEHLHEZSPQW-UHFFFAOYSA-N
MW464.52 g/mol
LogP2.89
Rot. Bonds6

About ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate (PubChem CID 55504842) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate
PubChem CID55504842
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Nameethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C26H28N2O6/c1-3-33-26(32)18-12-14-27(15-13-18)25(31)17(2)34-23(29)16-28-21-10-6-4-8-19(21)24(30)20-9-5-7-11-22(20)28/h4-11,17-18H,3,12-16H2,1-2H3
InChIKeyUYXBEHLHEZSPQW-UHFFFAOYSA-N
XLogP2.89
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-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 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate (CID 55504842) is ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1.
What is the InChIKey of ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate?
The InChIKey is UYXBEHLHEZSPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-3-33-26(32)18-12-14-27(15-13-18)25(31)17(2)34-23(29)16-28-21-10-6-4-8-19(21)24(30)20-9-5-7-11-22(20)28/h4-11,17-18H,3,12-16H2,1-2H3.
What are the key properties of ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate has a molecular weight of 464.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55504842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).