1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C16H23N3O2 — CID 107162545

IUPAC1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCCc1ccccc1C(=O)N1CCC(C)(/C(N)=N/O)CC1
InChIInChI=1S/C16H23N3O2/c1-3-12-6-4-5-7-13(12)14(20)19-10-8-16(2,9-11-19)15(17)18-21/h4-7,21H,3,8-11H2,1-2H3,(H2,17,18)
InChIKeyZJXTWTKXJNIBPZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107162545) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107162545
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCCc1ccccc1C(=O)N1CCC(C)(/C(N)=N/O)CC1
InChIInChI=1S/C16H23N3O2/c1-3-12-6-4-5-7-13(12)14(20)19-10-8-16(2,9-11-19)15(17)18-21/h4-7,21H,3,8-11H2,1-2H3,(H2,17,18)
InChIKeyZJXTWTKXJNIBPZ-UHFFFAOYSA-N
XLogP2.24
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.24
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

N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide
CID 107162575
1-(2-chloro-3-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162439
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
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-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162321
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide
CID 107162442
N'-hydroxy-4-methyl-1-(2-methylsulfanylacetyl)piperidine-4-carboximidamide
CID 107162505
1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161017

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107162545) is 1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is CCc1ccccc1C(=O)N1CCC(C)(/C(N)=N/O)CC1.
What is the InChIKey of 1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is ZJXTWTKXJNIBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-12-6-4-5-7-13(12)14(20)19-10-8-16(2,9-11-19)15(17)18-21/h4-7,21H,3,8-11H2,1-2H3,(H2,17,18).
What are the key properties of 1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 289.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).