N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide

C23H29N3O3 — CID 55495246

IUPACN-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1OCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-2-20-10-6-7-11-21(20)29-18-23(28)26-14-12-25(13-15-26)17-22(27)24-16-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3,(H,24,27)
InChIKeyWFDKQBIUPDNJEN-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.09
Rot. Bonds8

About N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 55495246) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID55495246
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1OCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-2-20-10-6-7-11-21(20)29-18-23(28)26-14-12-25(13-15-26)17-22(27)24-16-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3,(H,24,27)
InChIKeyWFDKQBIUPDNJEN-UHFFFAOYSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
CID 60529408
N-benzyl-2-[4-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]-1,4-diazepan-1-yl]acetamide
CID 3831716
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide
CID 34436116
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 18163237
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022
prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569944

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide (CID 55495246) is N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide is CCc1ccccc1OCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is WFDKQBIUPDNJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-20-10-6-7-11-21(20)29-18-23(28)26-14-12-25(13-15-26)17-22(27)24-16-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3,(H,24,27).
What are the key properties of N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55495246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).