4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

C15H22BrClN2O3 — CID 120573672

IUPAC4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCCNC2C)cc(OC)c1Br.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-9-11(5-4-6-17-9)18-15(19)10-7-12(20-2)14(16)13(8-10)21-3;/h7-9,11,17H,4-6H2,1-3H3,(H,18,19);1H
InChIKeyGYSNEBDDERRURK-UHFFFAOYSA-N
MW393.71 g/mol
LogP2.76
Rot. Bonds4

About 4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (PubChem CID 120573672) has the molecular formula C15H22BrClN2O3 and a molecular weight of 393.71 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
PubChem CID120573672
Molecular FormulaC15H22BrClN2O3
Molecular Weight393.71 g/mol
Exact Mass392.05
IUPAC Name4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCCNC2C)cc(OC)c1Br.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-9-11(5-4-6-17-9)18-15(19)10-7-12(20-2)14(16)13(8-10)21-3;/h7-9,11,17H,4-6H2,1-3H3,(H,18,19);1H
InChIKeyGYSNEBDDERRURK-UHFFFAOYSA-N
XLogP2.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-3,5-dimethoxybenzamide
CID 104957285
3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
CID 120573745
2-fluoro-4,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576347
3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride
CID 120574220
4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 120577293
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
4-methoxy-N-(2-methylpiperidin-3-yl)-3-(methylsulfamoyl)benzamide
CID 120577876
2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120577760
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (CID 120573672) is 4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is COc1cc(C(=O)NC2CCCNC2C)cc(OC)c1Br.Cl.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The InChIKey is GYSNEBDDERRURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3.ClH/c1-9-11(5-4-6-17-9)18-15(19)10-7-12(20-2)14(16)13(8-10)21-3;/h7-9,11,17H,4-6H2,1-3H3,(H,18,19);1H.
What are the key properties of 4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride has a molecular weight of 393.71 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120573672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).