ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate

C22H24N2O5 — CID 108504159

IUPACethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H24N2O5/c1-2-28-22(27)16-12-14-24(15-13-16)21(26)20(25)23-17-8-10-19(11-9-17)29-18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,23,25)
InChIKeyOHLUZDWNWREJMZ-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.22
Rot. Bonds5

About ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate (PubChem CID 108504159) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
PubChem CID108504159
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Nameethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H24N2O5/c1-2-28-22(27)16-12-14-24(15-13-16)21(26)20(25)23-17-8-10-19(11-9-17)29-18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,23,25)
InChIKeyOHLUZDWNWREJMZ-UHFFFAOYSA-N
XLogP3.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]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

Related Compounds

ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677
1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 44902818
ethyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)acetyl]piperidine-4-carboxylate
CID 108504241
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
ethyl 1-[2-oxo-2-(pyridin-3-ylamino)acetyl]piperidine-4-carboxylate
CID 44902348
ethyl 1-[2-(4-butylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108502335
ethyl 1-[2-oxo-2-(4-thiocyanatoanilino)acetyl]piperidine-4-carboxylate
CID 108504242
ethyl 1-[2-(2,6-dimethylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 44902571
ethyl 1-[2-(2-bromoanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504290
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
CID 54822989
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate (CID 108504159) is ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate?
The InChIKey is OHLUZDWNWREJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-2-28-22(27)16-12-14-24(15-13-16)21(26)20(25)23-17-8-10-19(11-9-17)29-18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,23,25).
What are the key properties of ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 108504159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).