3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide

C14H19FN4O2 — CID 76925753

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)C(N)=NO
InChIInChI=1S/C14H19FN4O2/c1-10(13(16)17-21)14(20)19-8-6-18(7-9-19)12-4-2-11(15)3-5-12/h2-5,10,21H,6-9H2,1H3,(H2,16,17)
InChIKeyZEWSMTOZFPUMQX-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.86
Rot. Bonds3

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide

3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide (PubChem CID 76925753) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
PubChem CID76925753
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)C(N)=NO
InChIInChI=1S/C14H19FN4O2/c1-10(13(16)17-21)14(20)19-8-6-18(7-9-19)12-4-2-11(15)3-5-12/h2-5,10,21H,6-9H2,1H3,(H2,16,17)
InChIKeyZEWSMTOZFPUMQX-UHFFFAOYSA-N
XLogP0.86
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
(3S)-1-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 94461656
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
propan-2-yl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate
CID 111037134
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
CID 119117612
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 24878688
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 27195534

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide (CID 76925753) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide is CC(C(=O)N1CCN(c2ccc(F)cc2)CC1)C(N)=NO.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The InChIKey is ZEWSMTOZFPUMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-10(13(16)17-21)14(20)19-8-6-18(7-9-19)12-4-2-11(15)3-5-12/h2-5,10,21H,6-9H2,1H3,(H2,16,17).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide?
3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide has a molecular weight of 294.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide is sourced from PubChem (CID 76925753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).