2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide

C22H27N3O2 — CID 33150190

IUPAC2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-18-7-9-19(10-8-18)11-12-22(27)25-15-13-24(14-16-25)17-21(26)23-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyIEGMZOLSNHISJB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.71
Rot. Bonds6

About 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 33150190) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID33150190
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-18-7-9-19(10-8-18)11-12-22(27)25-15-13-24(14-16-25)17-21(26)23-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyIEGMZOLSNHISJB-UHFFFAOYSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31149030
2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31348719
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 34435067
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
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-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
N-phenyl-2-[4-[3-(5-phenylfuran-2-yl)propanoyl]piperazin-1-yl]acetamide
CID 34435663
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide (CID 33150190) is 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide is Cc1ccc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is IEGMZOLSNHISJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-18-7-9-19(10-8-18)11-12-22(27)25-15-13-24(14-16-25)17-21(26)23-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,23,26).
What are the key properties of 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 365.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 33150190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).