3-bromo-N-(2-methylpiperidin-4-yl)benzamide

C13H17BrN2O — CID 106995558

IUPAC3-bromo-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2cccc(Br)c2)CCN1
InChIInChI=1S/C13H17BrN2O/c1-9-7-12(5-6-15-9)16-13(17)10-3-2-4-11(14)8-10/h2-4,8-9,12,15H,5-7H2,1H3,(H,16,17)
InChIKeyZRIYXNVQOFBLSW-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.32
Rot. Bonds2

About 3-bromo-N-(2-methylpiperidin-4-yl)benzamide

3-bromo-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 106995558) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-bromo-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID106995558
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name3-bromo-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2cccc(Br)c2)CCN1
InChIInChI=1S/C13H17BrN2O/c1-9-7-12(5-6-15-9)16-13(17)10-3-2-4-11(14)8-10/h2-4,8-9,12,15H,5-7H2,1H3,(H,16,17)
InChIKeyZRIYXNVQOFBLSW-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120598473
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 106995338
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
3-bromo-N-(3-methoxycyclopentyl)benzamide
CID 103082479
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-bromo-N-(2-methylpiperidin-4-yl)benzamide (CID 106995558) is 3-bromo-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-bromo-N-(2-methylpiperidin-4-yl)benzamide is CC1CC(NC(=O)c2cccc(Br)c2)CCN1.
What is the InChIKey of 3-bromo-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is ZRIYXNVQOFBLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-7-12(5-6-15-9)16-13(17)10-3-2-4-11(14)8-10/h2-4,8-9,12,15H,5-7H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-methylpiperidin-4-yl)benzamide?
3-bromo-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 297.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 106995558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).