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

C14H19BrN2O2 — CID 103873474

IUPAC4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(N(C)C(=O)c2ccc(Br)c(O)c2)C1
InChIInChI=1S/C14H19BrN2O2/c1-16-7-3-4-11(9-16)17(2)14(19)10-5-6-12(15)13(18)8-10/h5-6,8,11,18H,3-4,7,9H2,1-2H3
InChIKeyJPFVJDVNMREZKA-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.32
Rot. Bonds2

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

4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 103873474) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID103873474
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(N(C)C(=O)c2ccc(Br)c(O)c2)C1
InChIInChI=1S/C14H19BrN2O2/c1-16-7-3-4-11(9-16)17(2)14(19)10-5-6-12(15)13(18)8-10/h5-6,8,11,18H,3-4,7,9H2,1-2H3
InChIKeyJPFVJDVNMREZKA-UHFFFAOYSA-N
XLogP2.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980
3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62547513
4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide
CID 62540889
3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 103955316
4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546983
1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547508
4-[(1-aminocyclopropanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890887
4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 119890910
4-(2-chloropropanoylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 146086120
4-[[(2R)-2-aminopropanoyl]amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890915
2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 62542296
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (CID 103873474) is 4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(N(C)C(=O)c2ccc(Br)c(O)c2)C1.
What is the InChIKey of 4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is JPFVJDVNMREZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16-7-3-4-11(9-16)17(2)14(19)10-5-6-12(15)13(18)8-10/h5-6,8,11,18H,3-4,7,9H2,1-2H3.
What are the key properties of 4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 103873474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).