4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C15H21BrN2O2 — CID 63234296

IUPAC4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CN(C)C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-17-7-5-11(6-8-17)10-18(2)15(20)13-4-3-12(16)9-14(13)19/h3-4,9,11,19H,5-8,10H2,1-2H3
InChIKeyYBRNTXAMKCQPGZ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.57
Rot. Bonds3

About 4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide

4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 63234296) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID63234296
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CN(C)C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-17-7-5-11(6-8-17)10-18(2)15(20)13-4-3-12(16)9-14(13)19/h3-4,9,11,19H,5-8,10H2,1-2H3
InChIKeyYBRNTXAMKCQPGZ-UHFFFAOYSA-N
XLogP2.57
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
5-bromo-2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 63236918
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
(3S)-3-[[(4-bromo-2-methylbenzoyl)-methylamino]methyl]pyrrolidine-1-carboxylic acid
CID 71270727
4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 78929380
2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 106993833
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111
2-hydroxy-3-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234295

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 63234296) is 4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide is CN1CCC(CN(C)C(=O)c2ccc(Br)cc2O)CC1.
What is the InChIKey of 4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is YBRNTXAMKCQPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-17-7-5-11(6-8-17)10-18(2)15(20)13-4-3-12(16)9-14(13)19/h3-4,9,11,19H,5-8,10H2,1-2H3.
What are the key properties of 4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 341.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 63234296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).