N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

C19H22Cl2N3O2+ — CID 2698435

IUPACN-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1cccc(N2CC[NH+](CC(=O)Nc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-26-15-5-2-4-14(12-15)24-10-8-23(9-11-24)13-18(25)22-19-16(20)6-3-7-17(19)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1
InChIKeyLBIYWFASNNUMPR-UHFFFAOYSA-O
MW395.31 g/mol
LogP2.35
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 2698435) has the molecular formula C19H22Cl2N3O2+ and a molecular weight of 395.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID2698435
Molecular FormulaC19H22Cl2N3O2+
Molecular Weight395.31 g/mol
Exact Mass394.11
IUPAC NameN-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1cccc(N2CC[NH+](CC(=O)Nc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-26-15-5-2-4-14(12-15)24-10-8-23(9-11-24)13-18(25)22-19-16(20)6-3-7-17(19)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1
InChIKeyLBIYWFASNNUMPR-UHFFFAOYSA-O
XLogP2.35
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-methylphenyl)acetamide
CID 2698419
N-(4-chloro-2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592500
N-(4-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592568
N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592404
N-(2-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592588
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587029
N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
CID 8592125
N-(3-cyanothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592614
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592506
N-(2,4-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2655419
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8529693

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 2698435) is N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide is COc1cccc(N2CC[NH+](CC(=O)Nc3c(Cl)cccc3Cl)CC2)c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is LBIYWFASNNUMPR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-26-15-5-2-4-14(12-15)24-10-8-23(9-11-24)13-18(25)22-19-16(20)6-3-7-17(19)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1.
What are the key properties of N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 395.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2698435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).