methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate

C20H23N3O3 — CID 17407026

IUPACmethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-20(25)16-7-9-17(10-8-16)21-15-19(24)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10,21H,11-15H2,1H3
InChIKeyZHYCXJRFDREWNY-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.23
Rot. Bonds5

About methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate

methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate (PubChem CID 17407026) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
PubChem CID17407026
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namemethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-20(25)16-7-9-17(10-8-16)21-15-19(24)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10,21H,11-15H2,1H3
InChIKeyZHYCXJRFDREWNY-UHFFFAOYSA-N
XLogP2.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17469283
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811
methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477
methyl 4-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 109002062
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 108995454
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002161
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55437017
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
methyl 4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]benzoate
CID 113078576
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
methyl 4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010179

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate (CID 17407026) is methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate is COC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate?
The InChIKey is ZHYCXJRFDREWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-20(25)16-7-9-17(10-8-16)21-15-19(24)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10,21H,11-15H2,1H3.
What are the key properties of methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate?
methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate has a molecular weight of 353.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate is sourced from PubChem (CID 17407026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).