1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide

C13H15Br2N3O2 — CID 107940588

IUPAC1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C13H15Br2N3O2/c14-9-1-2-10(11(15)7-9)13(19)18-5-3-8(4-6-18)12(16)17-20/h1-2,7-8,20H,3-6H2,(H2,16,17)
InChIKeyFWJPCZPVQNDEJL-UHFFFAOYSA-N
MW405.09 g/mol
LogP2.81
Rot. Bonds2

About 1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide

1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 107940588) has the molecular formula C13H15Br2N3O2 and a molecular weight of 405.09 g/mol. Its IUPAC name is 1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
PubChem CID107940588
Molecular FormulaC13H15Br2N3O2
Molecular Weight405.09 g/mol
Exact Mass402.95
IUPAC Name1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C13H15Br2N3O2/c14-9-1-2-10(11(15)7-9)13(19)18-5-3-8(4-6-18)12(16)17-20/h1-2,7-8,20H,3-6H2,(H2,16,17)
InChIKeyFWJPCZPVQNDEJL-UHFFFAOYSA-N
XLogP2.81
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.09
LogP ≤ 52.81
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

1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107992513
[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107939826
1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107965214
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038523
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
N'-hydroxy-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboximidamide
CID 79754702
1-(3-bromo-4-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 81476577
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041998
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393
1-(2-amino-4-bromobenzoyl)piperidine-4-carboxylic acid
CID 79722642

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide (CID 107940588) is 1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide is N/C(=N/O)C1CCN(C(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of 1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is FWJPCZPVQNDEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3O2/c14-9-1-2-10(11(15)7-9)13(19)18-5-3-8(4-6-18)12(16)17-20/h1-2,7-8,20H,3-6H2,(H2,16,17).
What are the key properties of 1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 405.09 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 107940588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).