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

C14H19BrN2O2 — CID 114694855

IUPAC3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCCNC2C)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-9-12(4-3-7-16-9)17-14(18)10-5-6-13(19-2)11(15)8-10/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyQSMNOQLBCPAXOG-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.33
Rot. Bonds3

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

3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 114694855) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID114694855
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCCNC2C)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-9-12(4-3-7-16-9)17-14(18)10-5-6-13(19-2)11(15)8-10/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyQSMNOQLBCPAXOG-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573672
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
CID 120573745
4-methoxy-N-(2-methylpiperidin-3-yl)-3-(methylsulfamoyl)benzamide
CID 120577876
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride
CID 120574220
3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 55210410
3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62086482
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826
3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
CID 64923164
2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120577760
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide (CID 114694855) is 3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide is COc1ccc(C(=O)NC2CCCNC2C)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is QSMNOQLBCPAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-12(4-3-7-16-9)17-14(18)10-5-6-13(19-2)11(15)8-10/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide?
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 114694855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).