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

C14H19BrN2O — CID 106995279

IUPAC3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1c(Br)cccc1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C14H19BrN2O/c1-9-8-11(6-7-16-9)17-14(18)12-4-3-5-13(15)10(12)2/h3-5,9,11,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyDBFSPVASJKTRPQ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.63
Rot. Bonds2

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

3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 106995279) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID106995279
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1c(Br)cccc1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C14H19BrN2O/c1-9-8-11(6-7-16-9)17-14(18)12-4-3-5-13(15)10(12)2/h3-5,9,11,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyDBFSPVASJKTRPQ-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-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120602042
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 79036258
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide
CID 120602087
3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113346376
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
5-bromo-2-methyl-N-(2-methylpiperidin-4-yl)-3-sulfamoylbenzamide
CID 120600489
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride
CID 120599721

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide (CID 106995279) is 3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide is Cc1c(Br)cccc1C(=O)NC1CCNC(C)C1.
What is the InChIKey of 3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is DBFSPVASJKTRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-8-11(6-7-16-9)17-14(18)12-4-3-5-13(15)10(12)2/h3-5,9,11,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide?
3-bromo-2-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 3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 106995279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).