2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide

C15H21BrN2O4 — CID 127217560

IUPAC2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NC2CCNCC2)c(Br)c(OC)c1OC
InChIInChI=1S/C15H21BrN2O4/c1-20-11-8-10(12(16)14(22-3)13(11)21-2)15(19)18-9-4-6-17-7-5-9/h8-9,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyXOKKARBKZFHYGO-UHFFFAOYSA-N
MW373.25 g/mol
LogP1.96
Rot. Bonds5

About 2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide

2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide (PubChem CID 127217560) has the molecular formula C15H21BrN2O4 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide
PubChem CID127217560
Molecular FormulaC15H21BrN2O4
Molecular Weight373.25 g/mol
Exact Mass372.07
IUPAC Name2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NC2CCNCC2)c(Br)c(OC)c1OC
InChIInChI=1S/C15H21BrN2O4/c1-20-11-8-10(12(16)14(22-3)13(11)21-2)15(19)18-9-4-6-17-7-5-9/h8-9,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyXOKKARBKZFHYGO-UHFFFAOYSA-N
XLogP1.96
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide
CID 53429651
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
2-bromo-3,4,5-trimethoxy-N-[(1R,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 98588244
[2-(cyclohexylamino)-2-oxoethyl] 2-bromo-3,4,5-trimethoxybenzoate
CID 1192183
2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171551
3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
CID 79725951
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
5-cyano-4-fluoro-2-methoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 90190051
3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449468

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide (CID 127217560) is 2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide is COc1cc(C(=O)NC2CCNCC2)c(Br)c(OC)c1OC.
What is the InChIKey of 2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide?
The InChIKey is XOKKARBKZFHYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O4/c1-20-11-8-10(12(16)14(22-3)13(11)21-2)15(19)18-9-4-6-17-7-5-9/h8-9,17H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide?
2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide has a molecular weight of 373.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 127217560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).