5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide

C14H19FN4O2 — CID 77055285

IUPAC5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
SMILESCN1CC(NCc2ccc(F)cc2C(N)=NO)CCC1=O
InChIInChI=1S/C14H19FN4O2/c1-19-8-11(4-5-13(19)20)17-7-9-2-3-10(15)6-12(9)14(16)18-21/h2-3,6,11,17,21H,4-5,7-8H2,1H3,(H2,16,18)
InChIKeyYHFHNFIZDQEPJD-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.63
Rot. Bonds4

About 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide

5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide (PubChem CID 77055285) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
PubChem CID77055285
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
SMILESCN1CC(NCc2ccc(F)cc2C(N)=NO)CCC1=O
InChIInChI=1S/C14H19FN4O2/c1-19-8-11(4-5-13(19)20)17-7-9-2-3-10(15)6-12(9)14(16)18-21/h2-3,6,11,17,21H,4-5,7-8H2,1H3,(H2,16,18)
InChIKeyYHFHNFIZDQEPJD-UHFFFAOYSA-N
XLogP0.63
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
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'}

Analyze 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N'-hydroxy-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77032922
5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
CID 64656505
5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 77029815
2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77029528
5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361756
2-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77099054
5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 79832476
5-[(2-fluoro-3-nitrophenyl)methylamino]-1-methylpiperidin-2-one
CID 107349218
N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide
CID 77055284
5-fluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]benzenecarboximidamide
CID 77028593
5-fluoro-N'-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
CID 76994502
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994220

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide (CID 77055285) is 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide is CN1CC(NCc2ccc(F)cc2C(N)=NO)CCC1=O.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The InChIKey is YHFHNFIZDQEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-19-8-11(4-5-13(19)20)17-7-9-2-3-10(15)6-12(9)14(16)18-21/h2-3,6,11,17,21H,4-5,7-8H2,1H3,(H2,16,18).
What are the key properties of 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide has a molecular weight of 294.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77055285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).