2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide

C16H23BrN2O2 — CID 61383519

IUPAC2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide
SMILESCCN1CCC(CNC(=O)c2cc(OC)ccc2Br)CC1
InChIInChI=1S/C16H23BrN2O2/c1-3-19-8-6-12(7-9-19)11-18-16(20)14-10-13(21-2)4-5-15(14)17/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,18,20)
InChIKeyDWHRCFISZLUMCM-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.92
Rot. Bonds5

About 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide

2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide (PubChem CID 61383519) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide
PubChem CID61383519
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide
SMILESCCN1CCC(CNC(=O)c2cc(OC)ccc2Br)CC1
InChIInChI=1S/C16H23BrN2O2/c1-3-19-8-6-12(7-9-19)11-18-16(20)14-10-13(21-2)4-5-15(14)17/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,18,20)
InChIKeyDWHRCFISZLUMCM-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 71786488
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide
CID 107075001
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
(2-bromo-5-methoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550754
2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619796
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55885642
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390862

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide (CID 61383519) is 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide is CCN1CCC(CNC(=O)c2cc(OC)ccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide?
The InChIKey is DWHRCFISZLUMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-19-8-6-12(7-9-19)11-18-16(20)14-10-13(21-2)4-5-15(14)17/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,18,20).
What are the key properties of 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide?
2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide has a molecular weight of 355.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 61383519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).