4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide

C16H23BrN2O2 — CID 115369193

IUPAC4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide
SMILESCCN1CCC(N(C)C(=O)c2ccc(Br)cc2OC)CC1
InChIInChI=1S/C16H23BrN2O2/c1-4-19-9-7-13(8-10-19)18(2)16(20)14-6-5-12(17)11-15(14)21-3/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyINBRQLGIFYGJLB-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.01
Rot. Bonds4

About 4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide

4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide (PubChem CID 115369193) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide
PubChem CID115369193
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide
SMILESCCN1CCC(N(C)C(=O)c2ccc(Br)cc2OC)CC1
InChIInChI=1S/C16H23BrN2O2/c1-4-19-9-7-13(8-10-19)18(2)16(20)14-6-5-12(17)11-15(14)21-3/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyINBRQLGIFYGJLB-UHFFFAOYSA-N
XLogP3.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 115369123
4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 115369622
2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 54877660
4-bromo-N-(2-bromoethyl)-N-cyclopropyl-2-methoxybenzamide
CID 113296216
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzamide
CID 55002980
ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate
CID 78987795
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 106993273
4-bromo-N-(cyanomethyl)-N-cyclopentyl-2-methoxybenzamide
CID 78997563
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278
4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 78987908
3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 103841606

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide?
The IUPAC name of 4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide (CID 115369193) is 4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide is CCN1CCC(N(C)C(=O)c2ccc(Br)cc2OC)CC1.
What is the InChIKey of 4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide?
The InChIKey is INBRQLGIFYGJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-4-19-9-7-13(8-10-19)18(2)16(20)14-6-5-12(17)11-15(14)21-3/h5-6,11,13H,4,7-10H2,1-3H3.
What are the key properties of 4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide?
4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide has a molecular weight of 355.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 115369193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).