N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

C21H25N3O2 — CID 18124601

IUPACN-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-16-5-3-8-20(13-16)24-11-9-23(10-12-24)15-21(26)22-19-7-4-6-18(14-19)17(2)25/h3-8,13-14H,9-12,15H2,1-2H3,(H,22,26)
InChIKeyIOWLWBIJXXZAQY-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.96
Rot. Bonds5

About N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 18124601) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
PubChem CID18124601
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-16-5-3-8-20(13-16)24-11-9-23(10-12-24)15-21(26)22-19-7-4-6-18(14-19)17(2)25/h3-8,13-14H,9-12,15H2,1-2H3,(H,22,26)
InChIKeyIOWLWBIJXXZAQY-UHFFFAOYSA-N
XLogP2.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 131897568
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735853
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515042
N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 22199681
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (CID 18124601) is N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is IOWLWBIJXXZAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-5-3-8-20(13-16)24-11-9-23(10-12-24)15-21(26)22-19-7-4-6-18(14-19)17(2)25/h3-8,13-14H,9-12,15H2,1-2H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18124601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).