2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide

C15H21BrN2O — CID 81110131

IUPAC2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NCC2CCCCN2C)c1
InChIInChI=1S/C15H21BrN2O/c1-11-6-7-14(16)13(9-11)15(19)17-10-12-5-3-4-8-18(12)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)
InChIKeyIOBYAEQQXAONCQ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.97
Rot. Bonds3

About 2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide

2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide (PubChem CID 81110131) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
PubChem CID81110131
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NCC2CCCCN2C)c1
InChIInChI=1S/C15H21BrN2O/c1-11-6-7-14(16)13(9-11)15(19)17-10-12-5-3-4-8-18(12)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)
InChIKeyIOBYAEQQXAONCQ-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
2-bromo-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107027005
2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 80974574
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
CID 114146890
2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107027003
2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
4-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 114138158
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide (CID 81110131) is 2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide is Cc1ccc(Br)c(C(=O)NCC2CCCCN2C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
The InChIKey is IOBYAEQQXAONCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-6-7-14(16)13(9-11)15(19)17-10-12-5-3-4-8-18(12)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide?
2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide has a molecular weight of 325.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide is sourced from PubChem (CID 81110131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).