1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C15H20FN3O2 — CID 107162578

IUPAC1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1cc(F)cc(C(=O)N2CCC(C)(/C(N)=N/O)CC2)c1
InChIInChI=1S/C15H20FN3O2/c1-10-7-11(9-12(16)8-10)13(20)19-5-3-15(2,4-6-19)14(17)18-21/h7-9,21H,3-6H2,1-2H3,(H2,17,18)
InChIKeyILQBPEYZTKWUHQ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.12
Rot. Bonds2

About 1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107162578) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107162578
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1cc(F)cc(C(=O)N2CCC(C)(/C(N)=N/O)CC2)c1
InChIInChI=1S/C15H20FN3O2/c1-10-7-11(9-12(16)8-10)13(20)19-5-3-15(2,4-6-19)14(17)18-21/h7-9,21H,3-6H2,1-2H3,(H2,17,18)
InChIKeyILQBPEYZTKWUHQ-UHFFFAOYSA-N
XLogP2.12
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(3-chloro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162389
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162321
1-(3-chloro-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162595
1-(3,5-dimethylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123254
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
1-(2-bromo-4-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162495
1-(3,6-dimethylpyridazine-4-carbonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162433
1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide
CID 119138735
1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162411
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107730102
N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide
CID 107162575

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107162578) is 1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is Cc1cc(F)cc(C(=O)N2CCC(C)(/C(N)=N/O)CC2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is ILQBPEYZTKWUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10-7-11(9-12(16)8-10)13(20)19-5-3-15(2,4-6-19)14(17)18-21/h7-9,21H,3-6H2,1-2H3,(H2,17,18).
What are the key properties of 1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 293.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).