ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate

C22H26N2O4 — CID 113080764

IUPACethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C22H26N2O4/c1-3-27-22(26)19-6-4-5-7-20(19)23-12-14-24(15-13-23)21(25)16-28-18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3
InChIKeyYSXZTCJWZXYUPJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.90
Rot. Bonds6

About ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate

ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate (PubChem CID 113080764) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate
PubChem CID113080764
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nameethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C22H26N2O4/c1-3-27-22(26)19-6-4-5-7-20(19)23-12-14-24(15-13-23)21(25)16-28-18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3
InChIKeyYSXZTCJWZXYUPJ-UHFFFAOYSA-N
XLogP2.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate 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

1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
2-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050356
methyl 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]benzoate
CID 113078382
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
2-(4-methylphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 1074741
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080740
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
ethyl 2-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112479
ethyl 2-[4-[4-(4-acetyloxyphenoxy)butyl]piperazin-1-yl]benzoate
CID 139690631
2-methyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 110346414
2,2,2-trifluoro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533453

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate?
The IUPAC name of ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate (CID 113080764) is ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate.
What is the SMILES notation for ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate?
The canonical SMILES for ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate is CCOC(=O)c1ccccc1N1CCN(C(=O)COc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate?
The InChIKey is YSXZTCJWZXYUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-27-22(26)19-6-4-5-7-20(19)23-12-14-24(15-13-23)21(25)16-28-18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3.
What are the key properties of ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate?
ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate has a molecular weight of 382.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 113080764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).