ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate

C23H25BrN2O5 — CID 35512538

IUPACethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C23H25BrN2O5/c1-2-30-23(29)16-11-13-26(14-12-16)22(28)19-5-3-4-6-20(19)31-15-21(27)25-18-9-7-17(24)8-10-18/h3-10,16H,2,11-15H2,1H3,(H,25,27)
InChIKeyXBEMWLKQPQYWMI-UHFFFAOYSA-N
MW489.37 g/mol
LogP3.88
Rot. Bonds7

About ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate (PubChem CID 35512538) has the molecular formula C23H25BrN2O5 and a molecular weight of 489.37 g/mol. Its IUPAC name is ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate
PubChem CID35512538
Molecular FormulaC23H25BrN2O5
Molecular Weight489.37 g/mol
Exact Mass488.09
IUPAC Nameethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C23H25BrN2O5/c1-2-30-23(29)16-11-13-26(14-12-16)22(28)19-5-3-4-6-20(19)31-15-21(27)25-18-9-7-17(24)8-10-18/h3-10,16H,2,11-15H2,1H3,(H,25,27)
InChIKeyXBEMWLKQPQYWMI-UHFFFAOYSA-N
XLogP3.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]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

N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 4216558
N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 112771544
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052
[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739967
ethyl 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 1149589
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
CID 46663703
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387259
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate (CID 35512538) is ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate?
The InChIKey is XBEMWLKQPQYWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O5/c1-2-30-23(29)16-11-13-26(14-12-16)22(28)19-5-3-4-6-20(19)31-15-21(27)25-18-9-7-17(24)8-10-18/h3-10,16H,2,11-15H2,1H3,(H,25,27).
What are the key properties of ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate has a molecular weight of 489.37 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 35512538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).