1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide

C13H15BrClN3O2 — CID 77041998

IUPAC1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C13H15BrClN3O2/c14-9-3-4-10(11(15)6-9)13(19)18-5-1-2-8(7-18)12(16)17-20/h3-4,6,8,20H,1-2,5,7H2,(H2,16,17)
InChIKeyAOUCFINROYPSTB-UHFFFAOYSA-N
MW360.64 g/mol
LogP2.70
Rot. Bonds2

About 1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide

1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041998) has the molecular formula C13H15BrClN3O2 and a molecular weight of 360.64 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041998
Molecular FormulaC13H15BrClN3O2
Molecular Weight360.64 g/mol
Exact Mass359.00
IUPAC Name1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C13H15BrClN3O2/c14-9-3-4-10(11(15)6-9)13(19)18-5-1-2-8(7-18)12(16)17-20/h3-4,6,8,20H,1-2,5,7H2,(H2,16,17)
InChIKeyAOUCFINROYPSTB-UHFFFAOYSA-N
XLogP2.70
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 52.70
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-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041378
N-(2-aminoethyl)-1-(4-bromo-2-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482146
1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 82773087
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
1-(2-bromo-5-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 81117704
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737
(4-bromo-2-chlorophenyl)-[3-(2-bromoethyl)piperidin-1-yl]methanone
CID 80669190
(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679899
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041584
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041998) is 1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide is NC(=NO)C1CCCN(C(=O)c2ccc(Br)cc2Cl)C1.
What is the InChIKey of 1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is AOUCFINROYPSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O2/c14-9-3-4-10(11(15)6-9)13(19)18-5-1-2-8(7-18)12(16)17-20/h3-4,6,8,20H,1-2,5,7H2,(H2,16,17).
What are the key properties of 1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 360.64 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).