N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

C19H23BrN3O2+ — CID 2653629

IUPACN-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)14-19(24)21-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)/p+1
InChIKeyGKZTVLVXPVNXBJ-UHFFFAOYSA-O
MW405.32 g/mol
LogP1.80
Rot. Bonds5

About N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 2653629) has the molecular formula C19H23BrN3O2+ and a molecular weight of 405.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID2653629
Molecular FormulaC19H23BrN3O2+
Molecular Weight405.32 g/mol
Exact Mass404.10
IUPAC NameN-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)14-19(24)21-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)/p+1
InChIKeyGKZTVLVXPVNXBJ-UHFFFAOYSA-O
XLogP1.80
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8687474
N-(3-chloro-4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2653633
butyl 4-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8687835
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8703710
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2685021
N-(2,4-difluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2264829
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687635
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687643
N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2402942
2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320534
N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687689
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8687005

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 2653629) is N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide is COc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is GKZTVLVXPVNXBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22BrN3O2/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)14-19(24)21-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)/p+1.
What are the key properties of N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 405.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2653629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).