2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide

C15H21BrN2O — CID 81001993

IUPAC2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC2CCN(C)C(C)C2)c1
InChIInChI=1S/C15H21BrN2O/c1-10-4-5-14(16)13(8-10)15(19)17-12-6-7-18(3)11(2)9-12/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyPUJQEKXLYUAPRJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.97
Rot. Bonds2

About 2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide

2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide (PubChem CID 81001993) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
PubChem CID81001993
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC2CCN(C)C(C)C2)c1
InChIInChI=1S/C15H21BrN2O/c1-10-4-5-14(16)13(8-10)15(19)17-12-6-7-18(3)11(2)9-12/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyPUJQEKXLYUAPRJ-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 79036258
2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide
CID 80963448
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide
CID 104693584
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 79036256
2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide
CID 81109910
2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide (CID 81001993) is 2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NC2CCN(C)C(C)C2)c1.
What is the InChIKey of 2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide?
The InChIKey is PUJQEKXLYUAPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-4-5-14(16)13(8-10)15(19)17-12-6-7-18(3)11(2)9-12/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of 2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide?
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide is sourced from PubChem (CID 81001993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).