3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide

C19H23FN4O — CID 134583968

IUPAC3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide
SMILESCN1CCN(c2ccccc2)C(Cc2ccc(C(=O)NN)cc2F)C1
InChIInChI=1S/C19H23FN4O/c1-23-9-10-24(16-5-3-2-4-6-16)17(13-23)11-14-7-8-15(12-18(14)20)19(25)22-21/h2-8,12,17H,9-11,13,21H2,1H3,(H,22,25)
InChIKeyIKMPOSLCPJFDGT-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.79
Rot. Bonds4

About 3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide

3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide (PubChem CID 134583968) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide
PubChem CID134583968
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide
SMILESCN1CCN(c2ccccc2)C(Cc2ccc(C(=O)NN)cc2F)C1
InChIInChI=1S/C19H23FN4O/c1-23-9-10-24(16-5-3-2-4-6-16)17(13-23)11-14-7-8-15(12-18(14)20)19(25)22-21/h2-8,12,17H,9-11,13,21H2,1H3,(H,22,25)
InChIKeyIKMPOSLCPJFDGT-UHFFFAOYSA-N
XLogP1.79
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide
CID 134584177
3,4-difluoro-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]benzamide
CID 99903473
4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
CID 107458463
1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide
CID 162219998
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894690
4-[[2-(2,3-difluorophenyl)-4-ethylpiperazin-1-yl]methyl]-3-fluorobenzohydrazide
CID 134584398
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
CID 114480343
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80505001
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-[3-(furan-3-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 140894209
4-[(3,4-dimethylpiperazin-1-yl)methyl]-3-fluorobenzoic acid
CID 63619867

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide?
The IUPAC name of 3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide (CID 134583968) is 3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide?
The canonical SMILES for 3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide is CN1CCN(c2ccccc2)C(Cc2ccc(C(=O)NN)cc2F)C1.
What is the InChIKey of 3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide?
The InChIKey is IKMPOSLCPJFDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-23-9-10-24(16-5-3-2-4-6-16)17(13-23)11-14-7-8-15(12-18(14)20)19(25)22-21/h2-8,12,17H,9-11,13,21H2,1H3,(H,22,25).
What are the key properties of 3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide?
3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide has a molecular weight of 342.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide is sourced from PubChem (CID 134583968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).