[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate

C19H19FN2O3 — CID 798609

IUPAC[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H19FN2O3/c1-14(23)25-16-8-6-15(7-9-16)19(24)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20/h2-9H,10-13H2,1H3
InChIKeyOOMIFRHKGCSXED-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.71
Rot. Bonds3

About [4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate

[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate (PubChem CID 798609) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is [4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
PubChem CID798609
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H19FN2O3/c1-14(23)25-16-8-6-15(7-9-16)19(24)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20/h2-9H,10-13H2,1H3
InChIKeyOOMIFRHKGCSXED-UHFFFAOYSA-N
XLogP2.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 6472277
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 2995080
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
[4-(2-fluorophenyl)piperazin-1-yl]-(4-prop-2-ynoxyphenyl)methanone
CID 6471948
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate
CID 3414404
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 26590795
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone
CID 109262099
2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
CID 17309248

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate?
The IUPAC name of [4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate (CID 798609) is [4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate?
The canonical SMILES for [4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of [4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate?
The InChIKey is OOMIFRHKGCSXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-14(23)25-16-8-6-15(7-9-16)19(24)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20/h2-9H,10-13H2,1H3.
What are the key properties of [4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate?
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate has a molecular weight of 342.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 798609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).