4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide

C14H19BrN2O2 — CID 115369622

IUPAC4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)C1CCCNC1
InChIInChI=1S/C14H19BrN2O2/c1-17(11-4-3-7-16-9-11)14(18)12-6-5-10(15)8-13(12)19-2/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyRBKOFTILKULIKQ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.28
Rot. Bonds3

About 4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide

4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide (PubChem CID 115369622) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
PubChem CID115369622
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)C1CCCNC1
InChIInChI=1S/C14H19BrN2O2/c1-17(11-4-3-7-16-9-11)14(18)12-6-5-10(15)8-13(12)19-2/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyRBKOFTILKULIKQ-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 115369123
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
2,3-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807050
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide
CID 115369193
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
N,2,4-trimethyl-N-piperidin-3-ylbenzamide
CID 60807214
N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide
CID 66187779
3,5-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807213
2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552111
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide (CID 115369622) is 4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide is COc1cc(Br)ccc1C(=O)N(C)C1CCCNC1.
What is the InChIKey of 4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide?
The InChIKey is RBKOFTILKULIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(11-4-3-7-16-9-11)14(18)12-6-5-10(15)8-13(12)19-2/h5-6,8,11,16H,3-4,7,9H2,1-2H3.
What are the key properties of 4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide?
4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 115369622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).