2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide

C21H25N3O2 — CID 31150970

IUPAC2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-17-7-9-18(10-8-17)15-21(26)24-13-11-23(12-14-24)16-20(25)22-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,25)
InChIKeyYMIRLKZUVBAECT-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 31150970) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID31150970
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-17-7-9-18(10-8-17)15-21(26)24-13-11-23(12-14-24)16-20(25)22-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,25)
InChIKeyYMIRLKZUVBAECT-UHFFFAOYSA-N
XLogP2.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
2-[4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 34435186
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 55364420
2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31149030
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9224136
2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31348719
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide (CID 31150970) is 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide is Cc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is YMIRLKZUVBAECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-17-7-9-18(10-8-17)15-21(26)24-13-11-23(12-14-24)16-20(25)22-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,25).
What are the key properties of 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 351.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31150970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).