N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide

C20H23BrN2O3 — CID 15167739

IUPACN-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide
SMILESCOc1ccc(Br)c(O)c1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23BrN2O3/c1-26-17-8-7-16(21)19(24)18(17)20(25)22-15-9-11-23(12-10-15)13-14-5-3-2-4-6-14/h2-8,15,24H,9-13H2,1H3,(H,22,25)
InChIKeyLEKQMKPPEAGNOX-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.56
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide

N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide (PubChem CID 15167739) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide
PubChem CID15167739
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide
SMILESCOc1ccc(Br)c(O)c1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23BrN2O3/c1-26-17-8-7-16(21)19(24)18(17)20(25)22-15-9-11-23(12-10-15)13-14-5-3-2-4-6-14/h2-8,15,24H,9-13H2,1H3,(H,22,25)
InChIKeyLEKQMKPPEAGNOX-UHFFFAOYSA-N
XLogP3.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide
CID 21102223
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CID 10789834
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
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N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
CID 15167709
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
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1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254911
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
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CID 18156341

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide (CID 15167739) is N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide is COc1ccc(Br)c(O)c1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide?
The InChIKey is LEKQMKPPEAGNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-26-17-8-7-16(21)19(24)18(17)20(25)22-15-9-11-23(12-10-15)13-14-5-3-2-4-6-14/h2-8,15,24H,9-13H2,1H3,(H,22,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide?
N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide has a molecular weight of 419.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 15167739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).