3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide

C13H18ClN3O2 — CID 102958284

IUPAC3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
SMILESCOC1CCCN(c2ccc(/C(N)=N/O)cc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c1-19-10-3-2-6-17(8-10)12-5-4-9(7-11(12)14)13(15)16-18/h4-5,7,10,18H,2-3,6,8H2,1H3,(H2,15,16)
InChIKeyOESQFOQPAQUQGF-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.05
Rot. Bonds3

About 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide

3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 102958284) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
PubChem CID102958284
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
SMILESCOC1CCCN(c2ccc(/C(N)=N/O)cc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c1-19-10-3-2-6-17(8-10)12-5-4-9(7-11(12)14)13(15)16-18/h4-5,7,10,18H,2-3,6,8H2,1H3,(H2,15,16)
InChIKeyOESQFOQPAQUQGF-UHFFFAOYSA-N
XLogP2.05
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.05
H-Bond Donors ≤ 52
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 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)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

3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 76984144
3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76984457
3-chloro-N'-hydroxy-4-[3-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 77073276
3-chloro-N'-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 77048364
3-chloro-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 77020681
3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 76910257
N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373
1-(2-chloro-4-nitrophenyl)-3-methoxypiperidine
CID 174760958
3-bromo-4-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 82799919
3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799177
2-chloro-6-(3-methoxypiperidin-1-yl)benzenecarbothioamide
CID 102958019
N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide
CID 136749153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide (CID 102958284) is 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide is COC1CCCN(c2ccc(/C(N)=N/O)cc2Cl)C1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is OESQFOQPAQUQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-19-10-3-2-6-17(8-10)12-5-4-9(7-11(12)14)13(15)16-18/h4-5,7,10,18H,2-3,6,8H2,1H3,(H2,15,16).
What are the key properties of 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide?
3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide has a molecular weight of 283.76 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 102958284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).