2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide

C17H25BrN2O2 — CID 55885642

IUPAC2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(C)CN2CCCCC2)c1
InChIInChI=1S/C17H25BrN2O2/c1-13(12-20-8-4-3-5-9-20)11-19-17(21)15-10-14(22-2)6-7-16(15)18/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,19,21)
InChIKeyWQVFPUOGVXTIFL-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.31
Rot. Bonds6

About 2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide

2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide (PubChem CID 55885642) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
PubChem CID55885642
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(C)CN2CCCCC2)c1
InChIInChI=1S/C17H25BrN2O2/c1-13(12-20-8-4-3-5-9-20)11-19-17(21)15-10-14(22-2)6-7-16(15)18/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,19,21)
InChIKeyWQVFPUOGVXTIFL-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
2,3,4-trimethoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55980283
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 106853640
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992397
2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide
CID 43007289
3-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 55150022
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide (CID 55885642) is 2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide is COc1ccc(Br)c(C(=O)NCC(C)CN2CCCCC2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
The InChIKey is WQVFPUOGVXTIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-13(12-20-8-4-3-5-9-20)11-19-17(21)15-10-14(22-2)6-7-16(15)18/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide?
2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide has a molecular weight of 369.30 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 55885642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).