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

C14H19BrN2O — CID 106995466

IUPAC2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCNC(C)C2)c(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-9-3-4-12(13(15)7-9)14(18)17-11-5-6-16-10(2)8-11/h3-4,7,10-11,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyUOKGQCQTDWLYHM-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.63
Rot. Bonds2

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

2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 106995466) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID106995466
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCNC(C)C2)c(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-9-3-4-12(13(15)7-9)14(18)17-11-5-6-16-10(2)8-11/h3-4,7,10-11,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyUOKGQCQTDWLYHM-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120601621
2-(methanesulfonamido)-5-methyl-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601210
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
CID 115766037
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide
CID 120600489
4-(3,4-dimethylphenyl)-2-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 120599784
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide (CID 106995466) is 2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide is Cc1ccc(C(=O)NC2CCNC(C)C2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is UOKGQCQTDWLYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-3-4-12(13(15)7-9)14(18)17-11-5-6-16-10(2)8-11/h3-4,7,10-11,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide?
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 106995466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).