2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid

C21H24FN3O3 — CID 154743598

IUPAC2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid
SMILESCC(C(=O)NC(C(=O)O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3/c1-15(20(26)23-19(21(27)28)16-5-3-2-4-6-16)24-11-13-25(14-12-24)18-9-7-17(22)8-10-18/h2-10,15,19H,11-14H2,1H3,(H,23,26)(H,27,28)
InChIKeyHVFGILIDUMXKPL-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.28
Rot. Bonds6

About 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid

2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid (PubChem CID 154743598) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid
PubChem CID154743598
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid
SMILESCC(C(=O)NC(C(=O)O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3/c1-15(20(26)23-19(21(27)28)16-5-3-2-4-6-16)24-11-13-25(14-12-24)18-9-7-17(22)8-10-18/h2-10,15,19H,11-14H2,1H3,(H,23,26)(H,27,28)
InChIKeyHVFGILIDUMXKPL-UHFFFAOYSA-N
XLogP2.28
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
(2R)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-3-phenylpropanoic acid
CID 119367437
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 134038219
N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038231
(2S)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]hexanoic acid
CID 120615005
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
CID 119367760
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid (CID 154743598) is 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid is CC(C(=O)NC(C(=O)O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid?
The InChIKey is HVFGILIDUMXKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-15(20(26)23-19(21(27)28)16-5-3-2-4-6-16)24-11-13-25(14-12-24)18-9-7-17(22)8-10-18/h2-10,15,19H,11-14H2,1H3,(H,23,26)(H,27,28).
What are the key properties of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid?
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid has a molecular weight of 385.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 154743598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).