3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide

C15H22BrN3O — CID 107162922

IUPAC3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(C)(CNC(=O)c2cc(N)cc(Br)c2)CC1
InChIInChI=1S/C15H22BrN3O/c1-15(3-5-19(2)6-4-15)10-18-14(20)11-7-12(16)9-13(17)8-11/h7-9H,3-6,10,17H2,1-2H3,(H,18,20)
InChIKeyWJFARTDIWMOTFF-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.49
Rot. Bonds3

About 3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide

3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide (PubChem CID 107162922) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
PubChem CID107162922
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(C)(CNC(=O)c2cc(N)cc(Br)c2)CC1
InChIInChI=1S/C15H22BrN3O/c1-15(3-5-19(2)6-4-15)10-18-14(20)11-7-12(16)9-13(17)8-11/h7-9H,3-6,10,17H2,1-2H3,(H,18,20)
InChIKeyWJFARTDIWMOTFF-UHFFFAOYSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162855
5-amino-2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162859
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylpyridine-4-carboxamide
CID 107165134
1-[[(3-amino-5-bromobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450660
4-carbamothioyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107164094
2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162906
4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 103722169
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162857
5-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 107162875
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 107162900
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162880
3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide
CID 107940194

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide (CID 107162922) is 3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide is CN1CCC(C)(CNC(=O)c2cc(N)cc(Br)c2)CC1.
What is the InChIKey of 3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide?
The InChIKey is WJFARTDIWMOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-15(3-5-19(2)6-4-15)10-18-14(20)11-7-12(16)9-13(17)8-11/h7-9H,3-6,10,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide?
3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide has a molecular weight of 340.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 107162922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).