[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate

C19H19FN2O3 — CID 8612135

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate
SMILESO=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H19FN2O3/c20-16-6-4-5-15(13-16)19(24)25-14-18(23)22-11-9-21(10-12-22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyACWVRJRXPJAZQG-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.33
Rot. Bonds4

About [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate (PubChem CID 8612135) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate
PubChem CID8612135
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate
SMILESO=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H19FN2O3/c20-16-6-4-5-15(13-16)19(24)25-14-18(23)22-11-9-21(10-12-22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyACWVRJRXPJAZQG-UHFFFAOYSA-N
XLogP2.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate (CID 8612135) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate is O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate?
The InChIKey is ACWVRJRXPJAZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-6-4-5-15(13-16)19(24)25-14-18(23)22-11-9-21(10-12-22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2.
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate has a molecular weight of 342.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-fluorobenzoate is sourced from PubChem (CID 8612135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).