1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C16H23N3O2 — CID 107162321

IUPAC1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1ccc(C(=O)N2CCC(C)(/C(N)=N/O)CC2)cc1C
InChIInChI=1S/C16H23N3O2/c1-11-4-5-13(10-12(11)2)14(20)19-8-6-16(3,7-9-19)15(17)18-21/h4-5,10,21H,6-9H2,1-3H3,(H2,17,18)
InChIKeyXGLPKCVKNUYWGA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.29
Rot. Bonds2

About 1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107162321) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107162321
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1ccc(C(=O)N2CCC(C)(/C(N)=N/O)CC2)cc1C
InChIInChI=1S/C16H23N3O2/c1-11-4-5-13(10-12(11)2)14(20)19-8-6-16(3,7-9-19)15(17)18-21/h4-5,10,21H,6-9H2,1-3H3,(H2,17,18)
InChIKeyXGLPKCVKNUYWGA-UHFFFAOYSA-N
XLogP2.29
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.29
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-4-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162595
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162578
1-(3-chloro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162389
1-(3,4-dimethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166899
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-(2-chloro-3-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162439
1-(3,6-dimethylpyridazine-4-carbonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162433
1-(3-fluoro-4-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107160927
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107162321) is 1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is Cc1ccc(C(=O)N2CCC(C)(/C(N)=N/O)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is XGLPKCVKNUYWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-4-5-13(10-12(11)2)14(20)19-8-6-16(3,7-9-19)15(17)18-21/h4-5,10,21H,6-9H2,1-3H3,(H2,17,18).
What are the key properties of 1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 289.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).