2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide

C18H20FN3O2 — CID 171716393

IUPAC2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
SMILESO=C(Nc1ccc(O)cc1)C(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C18H20FN3O2/c19-14-3-1-13(2-4-14)17(22-11-9-20-10-12-22)18(24)21-15-5-7-16(23)8-6-15/h1-8,17,20,23H,9-12H2,(H,21,24)
InChIKeyCZPCZTNAMVSLBP-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.12
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide

2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide (PubChem CID 171716393) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
PubChem CID171716393
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
SMILESO=C(Nc1ccc(O)cc1)C(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C18H20FN3O2/c19-14-3-1-13(2-4-14)17(22-11-9-20-10-12-22)18(24)21-15-5-7-16(23)8-6-15/h1-8,17,20,23H,9-12H2,(H,21,24)
InChIKeyCZPCZTNAMVSLBP-UHFFFAOYSA-N
XLogP2.12
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-[({[(2S)-1-oxo-3-phenyl-1-[4-(N-phenylpropanamido)piperidin-1-yl]propan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]propanamide
CID 23635042
MK2a Inhibitor
CID 11382492
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
Tyr-D-Ala-Gly-NMePhe
CID 45483974
(S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1-{2-[(1-phenethyl-piperidin-4-yl)-phenyl-carbamoyl]-ethylcarbamoyl}-2-phenyl-ethylcarbamoyl)-methyl]-carbamoyl}-ethyl)-propionamide
CID 16046123
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-[4-(N-propanoylanilino)piperidin-1-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]propan-2-yl]propanamide
CID 44436083
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[[2-oxo-2-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)ethyl]amino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]propan-2-yl]propanamide
CID 73354965
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 2447572
N-[(1E,3E)-1-(4-Hydroxy-phenylcarbamoyl)-4-phenyl-buta-1,3-dienyl]-benzamide
CID 5913663
N~1~-{2-[4-(4-Methoxyphenyl)piperazino]-2-oxoethyl}-2-phenylacetamide
CID 2568912
2-(4-Benzyl-piperidin-1-yl)-N-(4-hydroxy-phenyl)-2-oxo-acetamide
CID 10290921

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide (CID 171716393) is 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide is O=C(Nc1ccc(O)cc1)C(c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is CZPCZTNAMVSLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-14-3-1-13(2-4-14)17(22-11-9-20-10-12-22)18(24)21-15-5-7-16(23)8-6-15/h1-8,17,20,23H,9-12H2,(H,21,24).
What are the key properties of 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide?
2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 329.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 171716393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).