2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide

C24H28N4O3 — CID 9167071

IUPAC2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCc1cccc(CN2CCN(C(=O)CN(C)C(=O)COc3ccccc3C#N)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-19-6-5-7-20(14-19)16-27-10-12-28(13-11-27)23(29)17-26(2)24(30)18-31-22-9-4-3-8-21(22)15-25/h3-9,14H,10-13,16-18H2,1-2H3
InChIKeySIOBMBYLPDMSFZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.05
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide

2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 9167071) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID9167071
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCc1cccc(CN2CCN(C(=O)CN(C)C(=O)COc3ccccc3C#N)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-19-6-5-7-20(14-19)16-27-10-12-28(13-11-27)23(29)17-26(2)24(30)18-31-22-9-4-3-8-21(22)15-25/h3-9,14H,10-13,16-18H2,1-2H3
InChIKeySIOBMBYLPDMSFZ-UHFFFAOYSA-N
XLogP2.05
TPSA76.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide
CID 9116115
2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 9167060
3-methoxy-4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 51173931
N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106907
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9227961
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23885384
[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 39907965
2-(4-benzoylpiperazin-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24677865
2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile
CID 4885426
2-(4-aminophenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119832324

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide (CID 9167071) is 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide is Cc1cccc(CN2CCN(C(=O)CN(C)C(=O)COc3ccccc3C#N)CC2)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is SIOBMBYLPDMSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-19-6-5-7-20(14-19)16-27-10-12-28(13-11-27)23(29)17-26(2)24(30)18-31-22-9-4-3-8-21(22)15-25/h3-9,14H,10-13,16-18H2,1-2H3.
What are the key properties of 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 9167071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).