2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide

C15H21BrN2O — CID 115765983

IUPAC2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C)CC2C)c(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-10-4-5-12(13(16)8-10)15(19)17-14-6-7-18(3)9-11(14)2/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,19)
InChIKeySGDZOESZPBPBKI-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.83
Rot. Bonds2

About 2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide

2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide (PubChem CID 115765983) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
PubChem CID115765983
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C)CC2C)c(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-10-4-5-12(13(16)8-10)15(19)17-14-6-7-18(3)9-11(14)2/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,19)
InChIKeySGDZOESZPBPBKI-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 113247797
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 107873193
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406
2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide
CID 114505946
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2-methylpyridine-3-carboxamide
CID 114502792
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
2-bromo-4-[(1,3-dimethylpiperidin-4-yl)amino]benzenecarbothioamide
CID 107278148
2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016178
2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide
CID 81109910
2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
CID 115766037
N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
CID 114505924

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide?
The IUPAC name of 2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide (CID 115765983) is 2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(C)CC2C)c(Br)c1.
What is the InChIKey of 2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide?
The InChIKey is SGDZOESZPBPBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-4-5-12(13(16)8-10)15(19)17-14-6-7-18(3)9-11(14)2/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of 2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide?
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide is sourced from PubChem (CID 115765983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).