1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide

C14H18BrN3O3 — CID 77038523

IUPAC1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESCOc1ccc(Br)c(C(=O)N2CCC(C(N)=NO)CC2)c1
InChIInChI=1S/C14H18BrN3O3/c1-21-10-2-3-12(15)11(8-10)14(19)18-6-4-9(5-7-18)13(16)17-20/h2-3,8-9,20H,4-7H2,1H3,(H2,16,17)
InChIKeyUXQOCIFRQKMCRJ-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.06
Rot. Bonds3

About 1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide

1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 77038523) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
PubChem CID77038523
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESCOc1ccc(Br)c(C(=O)N2CCC(C(N)=NO)CC2)c1
InChIInChI=1S/C14H18BrN3O3/c1-21-10-2-3-12(15)11(8-10)14(19)18-6-4-9(5-7-18)13(16)17-20/h2-3,8-9,20H,4-7H2,1H3,(H2,16,17)
InChIKeyUXQOCIFRQKMCRJ-UHFFFAOYSA-N
XLogP2.06
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-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

N'-hydroxy-1-(2-hydroxy-4-methoxybenzoyl)piperidine-4-carboximidamide
CID 77038522
[(3R)-3-aminopyrrolidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81468954
(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62085963
4-(2-bromo-5-methoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670839
(2-bromo-5-methoxyphenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585180
(2-bromo-5-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261775
(2-bromo-5-methoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550754
(2-bromo-5-methoxyphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114682915
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588
4-(2-bromo-5-methoxybenzoyl)piperazine-1-sulfonamide
CID 61040729
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-bromo-5-methoxyphenyl)methanone
CID 60630518
(2-bromo-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55885511

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide (CID 77038523) is 1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide is COc1ccc(Br)c(C(=O)N2CCC(C(N)=NO)CC2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is UXQOCIFRQKMCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-21-10-2-3-12(15)11(8-10)14(19)18-6-4-9(5-7-18)13(16)17-20/h2-3,8-9,20H,4-7H2,1H3,(H2,16,17).
What are the key properties of 1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 356.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 77038523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).