1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide

C13H16BrN3O2 — CID 77041349

IUPAC1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)c1ccccc1Br
InChIInChI=1S/C13H16BrN3O2/c14-10-6-2-1-5-9(10)13(18)17-8-4-3-7-11(17)12(15)16-19/h1-2,5-6,11,19H,3-4,7-8H2,(H2,15,16)
InChIKeyVUHUGASXLLNCIA-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.19
Rot. Bonds2

About 1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide

1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77041349) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77041349
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)c1ccccc1Br
InChIInChI=1S/C13H16BrN3O2/c14-10-6-2-1-5-9(10)13(18)17-8-4-3-7-11(17)12(15)16-19/h1-2,5-6,11,19H,3-4,7-8H2,(H2,15,16)
InChIKeyVUHUGASXLLNCIA-UHFFFAOYSA-N
XLogP2.19
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.19
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-bromobenzoyl)-N'-hydroxypiperidine-2-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-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041668
1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114375250
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107730090
N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide
CID 77036206
1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114345186
(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 93318065
[1-(2-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357641
1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 81307263
2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899664
(2-bromophenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 116639241
1-(3-bromo-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 107948932
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide (CID 77041349) is 1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide is NC(=NO)C1CCCCN1C(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is VUHUGASXLLNCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c14-10-6-2-1-5-9(10)13(18)17-8-4-3-7-11(17)12(15)16-19/h1-2,5-6,11,19H,3-4,7-8H2,(H2,15,16).
What are the key properties of 1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 326.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 77041349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).