1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide

C13H15ClIN3O2 — CID 103211616

IUPAC1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCCN1C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClIN3O2/c14-9-7-8(4-5-10(9)15)13(19)18-6-2-1-3-11(18)12(16)17-20/h4-5,7,11,20H,1-3,6H2,(H2,16,17)
InChIKeyQLRCRQXPCKZAHE-UHFFFAOYSA-N
MW407.64 g/mol
LogP2.69
Rot. Bonds2

About 1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide

1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 103211616) has the molecular formula C13H15ClIN3O2 and a molecular weight of 407.64 g/mol. Its IUPAC name is 1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID103211616
Molecular FormulaC13H15ClIN3O2
Molecular Weight407.64 g/mol
Exact Mass406.99
IUPAC Name1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCCN1C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClIN3O2/c14-9-7-8(4-5-10(9)15)13(19)18-6-2-1-3-11(18)12(16)17-20/h4-5,7,11,20H,1-3,6H2,(H2,16,17)
InChIKeyQLRCRQXPCKZAHE-UHFFFAOYSA-N
XLogP2.69
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.64
LogP ≤ 52.69
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': 'iodine', '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-methylbenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041974
1-(3-chloro-4-iodobenzoyl)piperidine-2-carbothioamide
CID 103220798
1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 81307263
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
(3-chloro-4-iodophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 103209404
1-(3-bromo-4-methoxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041871
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
1-(3-chloro-4-iodobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742259
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036430
1-(4-ethylbenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035991
1-(4-bromo-3-chlorobenzoyl)azepane-2-carboxylic acid
CID 81290541

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide (CID 103211616) is 1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide is N/C(=N/O)C1CCCCN1C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is QLRCRQXPCKZAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClIN3O2/c14-9-7-8(4-5-10(9)15)13(19)18-6-2-1-3-11(18)12(16)17-20/h4-5,7,11,20H,1-3,6H2,(H2,16,17).
What are the key properties of 1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 407.64 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 103211616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).