4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide

C14H19BrN2O — CID 54252935

IUPAC4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCN(C)CC2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-9-11(3-4-13(10)15)14(18)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,18)
InChIKeyQYAPRUXRKGEKOA-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.58
Rot. Bonds2

About 4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide

4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 54252935) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID54252935
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCN(C)CC2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-9-11(3-4-13(10)15)14(18)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,18)
InChIKeyQYAPRUXRKGEKOA-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-bromo-N-cyclopentyl-3-methylbenzamide
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4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
[4-[(4-bromo-3-methylbenzoyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174784551
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 115770342
3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 113247797
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 54252935) is 4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide is Cc1cc(C(=O)NC2CCN(C)CC2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is QYAPRUXRKGEKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-9-11(3-4-13(10)15)14(18)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide?
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 54252935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).