[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate

C23H25ClN2O6 — CID 4780980

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H25ClN2O6/c1-30-18-7-8-20(31-2)19(13-18)25-21(27)14-32-23(29)16-9-11-26(12-10-16)22(28)15-3-5-17(24)6-4-15/h3-8,13,16H,9-12,14H2,1-2H3,(H,25,27)
InChIKeyWCQKOCWBMBEJLL-UHFFFAOYSA-N
MW460.91 g/mol
LogP3.39
Rot. Bonds7

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate (PubChem CID 4780980) has the molecular formula C23H25ClN2O6 and a molecular weight of 460.91 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
PubChem CID4780980
Molecular FormulaC23H25ClN2O6
Molecular Weight460.91 g/mol
Exact Mass460.14
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H25ClN2O6/c1-30-18-7-8-20(31-2)19(13-18)25-21(27)14-32-23(29)16-9-11-26(12-10-16)22(28)15-3-5-17(24)6-4-15/h3-8,13,16H,9-12,14H2,1-2H3,(H,25,27)
InChIKeyWCQKOCWBMBEJLL-UHFFFAOYSA-N
XLogP3.39
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.91
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)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 [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate (CID 4780980) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate is COc1ccc(OC)c(NC(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The InChIKey is WCQKOCWBMBEJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O6/c1-30-18-7-8-20(31-2)19(13-18)25-21(27)14-32-23(29)16-9-11-26(12-10-16)22(28)15-3-5-17(24)6-4-15/h3-8,13,16H,9-12,14H2,1-2H3,(H,25,27).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate has a molecular weight of 460.91 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 4780980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).