N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide

C23H26N4O3 — CID 9116115

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide
SMILESCN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)COc1ccccc1C#N
InChIInChI=1S/C23H26N4O3/c1-25(23(29)18-30-21-10-6-5-9-20(21)15-24)17-22(28)27-13-11-26(12-14-27)16-19-7-3-2-4-8-19/h2-10H,11-14,16-18H2,1H3
InChIKeyJOJAILVRRZQFCT-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide (PubChem CID 9116115) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide
PubChem CID9116115
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide
SMILESCN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)COc1ccccc1C#N
InChIInChI=1S/C23H26N4O3/c1-25(23(29)18-30-21-10-6-5-9-20(21)15-24)17-22(28)27-13-11-26(12-14-27)16-19-7-3-2-4-8-19/h2-10H,11-14,16-18H2,1H3
InChIKeyJOJAILVRRZQFCT-UHFFFAOYSA-N
XLogP1.74
TPSA76.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 9167071
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile
CID 4885426
1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100785212
2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43397563
N-(4-aminophenyl)-2-(2-cyanophenoxy)-N-methylacetamide
CID 43376567
2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 9167060
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide
CID 84561869

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide (CID 9116115) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide is CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)COc1ccccc1C#N.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide?
The InChIKey is JOJAILVRRZQFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-25(23(29)18-30-21-10-6-5-9-20(21)15-24)17-22(28)27-13-11-26(12-14-27)16-19-7-3-2-4-8-19/h2-10H,11-14,16-18H2,1H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide has a molecular weight of 406.49 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide is sourced from PubChem (CID 9116115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).