4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid

C18H17FN2O3 — CID 82183776

IUPAC4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C18H17FN2O3/c19-15-3-1-2-4-16(15)20-9-11-21(12-10-20)17(22)13-5-7-14(8-6-13)18(23)24/h1-8H,9-12H2,(H,23,24)
InChIKeyAYIZZYPKCWCYKZ-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.49
Rot. Bonds3

About 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid (PubChem CID 82183776) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
PubChem CID82183776
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C18H17FN2O3/c19-15-3-1-2-4-16(15)20-9-11-21(12-10-20)17(22)13-5-7-14(8-6-13)18(23)24/h1-8H,9-12H2,(H,23,24)
InChIKeyAYIZZYPKCWCYKZ-UHFFFAOYSA-N
XLogP2.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 2995080
[4-(2-fluorophenyl)piperazin-1-yl]-(4-prop-2-ynoxyphenyl)methanone
CID 6471948
(3,5-dinitrophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2496852
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
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]benzoic acid?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid (CID 82183776) is 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid is O=C(O)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid?
The InChIKey is AYIZZYPKCWCYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-15-3-1-2-4-16(15)20-9-11-21(12-10-20)17(22)13-5-7-14(8-6-13)18(23)24/h1-8H,9-12H2,(H,23,24).
What are the key properties of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid?
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid has a molecular weight of 328.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid is sourced from PubChem (CID 82183776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).