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

C21H24N2O4 — CID 17447126

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-26-19-10-8-17(9-11-19)21(25)27-16-20(24)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKeyKPEBZOLOPOTWMW-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.59
Rot. Bonds6

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

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate (PubChem CID 17447126) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
PubChem CID17447126
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-26-19-10-8-17(9-11-19)21(25)27-16-20(24)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKeyKPEBZOLOPOTWMW-UHFFFAOYSA-N
XLogP2.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,5-difluorobenzoate
CID 7990009
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
CID 7261551
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-(tetrazol-1-yl)benzoate
CID 7990649
ethyl 4-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate
CID 17469283
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010275
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-propoxybenzoate
CID 8842529
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
ethyl 4-[[3-oxo-3-(4-phenylpiperazin-1-yl)propanoyl]amino]benzoate
CID 108949464
(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607617

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate (CID 17447126) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate?
The InChIKey is KPEBZOLOPOTWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-26-19-10-8-17(9-11-19)21(25)27-16-20(24)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3.
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate has a molecular weight of 368.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate is sourced from PubChem (CID 17447126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).