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

C21H25N3O3 — CID 17469283

IUPACethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-2-27-21(26)17-8-10-18(11-9-17)22-16-20(25)24-14-12-23(13-15-24)19-6-4-3-5-7-19/h3-11,22H,2,12-16H2,1H3
InChIKeyWJTHAYARVBCGKO-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.62
Rot. Bonds6

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

ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate (PubChem CID 17469283) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
PubChem CID17469283
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-2-27-21(26)17-8-10-18(11-9-17)22-16-20(25)24-14-12-23(13-15-24)19-6-4-3-5-7-19/h3-11,22H,2,12-16H2,1H3
InChIKeyWJTHAYARVBCGKO-UHFFFAOYSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17407026
ethyl 4-[[3-oxo-3-(4-phenylpiperazin-1-yl)propanoyl]amino]benzoate
CID 108949464
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811
2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002161
ethyl 4-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamoylamino]benzoate
CID 42767164
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
CID 17447126
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477
ethyl 4-(4-pentanoylpiperazin-1-yl)benzoate
CID 110672913
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
ethyl 4-[[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]benzoate
CID 109030481
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate (CID 17469283) is ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate is CCOC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate?
The InChIKey is WJTHAYARVBCGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-27-21(26)17-8-10-18(11-9-17)22-16-20(25)24-14-12-23(13-15-24)19-6-4-3-5-7-19/h3-11,22H,2,12-16H2,1H3.
What are the key properties of ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate?
ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate has a molecular weight of 367.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate is sourced from PubChem (CID 17469283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).