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

C22H30N3O3+ — CID 8703710

IUPACN-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3OCC)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-3-27-19-11-9-18(10-12-19)23-22(26)17-24-13-15-25(16-14-24)20-7-5-6-8-21(20)28-4-2/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)/p+1
InChIKeyWIJIVODWMURYDN-UHFFFAOYSA-O
MW384.50 g/mol
LogP1.83
Rot. Bonds8

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

N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 8703710) has the molecular formula C22H30N3O3+ and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID8703710
Molecular FormulaC22H30N3O3+
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC NameN-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3OCC)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-3-27-19-11-9-18(10-12-19)23-22(26)17-24-13-15-25(16-14-24)20-7-5-6-8-21(20)28-4-2/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)/p+1
InChIKeyWIJIVODWMURYDN-UHFFFAOYSA-O
XLogP1.83
TPSA55.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2161884
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetohydrazide
CID 7060420
N-(4-bromophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2653629
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8691425
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8687474
N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2406609
N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 8896631
butyl 4-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8687835
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 9027893
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 9328321
ethyl 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8529311
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8703554

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 8703710) is N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide is CCOc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3OCC)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is WIJIVODWMURYDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O3/c1-3-27-19-11-9-18(10-12-19)23-22(26)17-24-13-15-25(16-14-24)20-7-5-6-8-21(20)28-4-2/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)/p+1.
What are the key properties of N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8703710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).