3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide

C21H28N3O2+ — CID 7460118

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
SMILESCOc1ccccc1N1CC[NH+](CCC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C21H27N3O2/c1-17-7-3-4-8-18(17)22-21(25)11-12-23-13-15-24(16-14-23)19-9-5-6-10-20(19)26-2/h3-10H,11-16H2,1-2H3,(H,22,25)/p+1
InChIKeyGDPMATBFIBRKLJ-UHFFFAOYSA-O
MW354.47 g/mol
LogP1.74
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide

3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 7460118) has the molecular formula C21H28N3O2+ and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID7460118
Molecular FormulaC21H28N3O2+
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
SMILESCOc1ccccc1N1CC[NH+](CCC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C21H27N3O2/c1-17-7-3-4-8-18(17)22-21(25)11-12-23-13-15-24(16-14-23)19-9-5-6-10-20(19)26-2/h3-10H,11-16H2,1-2H3,(H,22,25)/p+1
InChIKeyGDPMATBFIBRKLJ-UHFFFAOYSA-O
XLogP1.74
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[3-(2-methylanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 4745816
ethyl 4-[3-(2-methoxyanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 3822869
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2685021
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-(2,4-difluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2264829
N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 7460120
4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide
CID 797346
3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7289369
N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2653629
(E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide
CID 1482645
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide (CID 7460118) is 3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide is COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is GDPMATBFIBRKLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3O2/c1-17-7-3-4-8-18(17)22-21(25)11-12-23-13-15-24(16-14-23)19-9-5-6-10-20(19)26-2/h3-10H,11-16H2,1-2H3,(H,22,25)/p+1.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide?
3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 354.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 7460118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).