5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide

C14H19BrN2O2 — CID 107729991

IUPAC5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCN(CC1CCNCC1)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H19BrN2O2/c1-17(9-10-4-6-16-7-5-10)14(19)12-8-11(15)2-3-13(12)18/h2-3,8,10,16,18H,4-7,9H2,1H3
InChIKeyLWUNRWZAYJCIPZ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.23
Rot. Bonds3

About 5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide

5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 107729991) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID107729991
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCN(CC1CCNCC1)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H19BrN2O2/c1-17(9-10-4-6-16-7-5-10)14(19)12-8-11(15)2-3-13(12)18/h2-3,8,10,16,18H,4-7,9H2,1H3
InChIKeyLWUNRWZAYJCIPZ-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 114021512
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715879
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
CID 114894118
4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234296
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 103747554
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide (CID 107729991) is 5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide is CN(CC1CCNCC1)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is LWUNRWZAYJCIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(9-10-4-6-16-7-5-10)14(19)12-8-11(15)2-3-13(12)18/h2-3,8,10,16,18H,4-7,9H2,1H3.
What are the key properties of 5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 107729991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).