N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

C21H28N3O2+ — CID 8592404

IUPACN-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1cccc(N2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-16-6-4-9-20(17(16)2)22-21(25)15-23-10-12-24(13-11-23)18-7-5-8-19(14-18)26-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1
InChIKeyMVPFOCSNZDWKLD-UHFFFAOYSA-O
MW354.47 g/mol
LogP1.66
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 8592404) has the molecular formula C21H28N3O2+ and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID8592404
Molecular FormulaC21H28N3O2+
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1cccc(N2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-16-6-4-9-20(17(16)2)22-21(25)15-23-10-12-24(13-11-23)18-7-5-8-19(14-18)26-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1
InChIKeyMVPFOCSNZDWKLD-UHFFFAOYSA-O
XLogP1.66
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2060925
N-(4-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592568
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 2698419
N-(2-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592588
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592506
N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2698435
N-(4-chloro-2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592500
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8592436
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9348035
N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
CID 8592125
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-methylphenyl)acetamide
CID 9435104
N-(3-cyanothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592614

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 8592404) is N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide is COc1cccc(N2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is MVPFOCSNZDWKLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3O2/c1-16-6-4-9-20(17(16)2)22-21(25)15-23-10-12-24(13-11-23)18-7-5-8-19(14-18)26-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 354.47 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8592404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).