1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C14H17Cl2N3O2 — CID 107162411

IUPAC1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-14(13(17)18-21)5-7-19(8-6-14)12(20)11-9(15)3-2-4-10(11)16/h2-4,21H,5-8H2,1H3,(H2,17,18)
InChIKeyBRPYBBNPKMOICZ-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.98
Rot. Bonds2

About 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107162411) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107162411
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.21 g/mol
Exact Mass329.07
IUPAC Name1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-14(13(17)18-21)5-7-19(8-6-14)12(20)11-9(15)3-2-4-10(11)16/h2-4,21H,5-8H2,1H3,(H2,17,18)
InChIKeyBRPYBBNPKMOICZ-UHFFFAOYSA-N
XLogP2.98
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.98
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'}

Analyze 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide 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

1-(2-chloro-3-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162439
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-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162545
(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 63658810
1-(3-chloro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162389
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-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide
CID 107162575
1-(2-bromo-4-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162495
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107730102

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107162411) is 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is CC1(/C(N)=N/O)CCN(C(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is BRPYBBNPKMOICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-14(13(17)18-21)5-7-19(8-6-14)12(20)11-9(15)3-2-4-10(11)16/h2-4,21H,5-8H2,1H3,(H2,17,18).
What are the key properties of 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 330.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).