3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide

C15H21N3O2 — CID 43333169

IUPAC3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESCC1CC(C)CN(C(=O)c2cccc(/C(N)=N/O)c2)C1
InChIInChI=1S/C15H21N3O2/c1-10-6-11(2)9-18(8-10)15(19)13-5-3-4-12(7-13)14(16)17-20/h3-5,7,10-11,20H,6,8-9H2,1-2H3,(H2,16,17)
InChIKeyZBYMSAFCKAVYCX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.90
Rot. Bonds2

About 3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide

3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 43333169) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
PubChem CID43333169
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESCC1CC(C)CN(C(=O)c2cccc(/C(N)=N/O)c2)C1
InChIInChI=1S/C15H21N3O2/c1-10-6-11(2)9-18(8-10)15(19)13-5-3-4-12(7-13)14(16)17-20/h3-5,7,10-11,20H,6,8-9H2,1-2H3,(H2,16,17)
InChIKeyZBYMSAFCKAVYCX-UHFFFAOYSA-N
XLogP1.90
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.90
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

3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
CID 104959807
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
N'-hydroxy-3-(3-methoxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 102963396
N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 81108849
3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43581926
6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 77005377
N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide
CID 43156169
N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 77054227
3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43593165
N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]benzenecarboximidamide
CID 81198524
3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43613610
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide (CID 43333169) is 3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide is CC1CC(C)CN(C(=O)c2cccc(/C(N)=N/O)c2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZBYMSAFCKAVYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-6-11(2)9-18(8-10)15(19)13-5-3-4-12(7-13)14(16)17-20/h3-5,7,10-11,20H,6,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 275.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43333169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).