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

C23H27N3O3 — CID 31149030

IUPAC2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-18-7-9-19(10-8-18)21(27)11-12-23(29)26-15-13-25(14-16-26)17-22(28)24-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,24,28)
InChIKeyQJQGDGVFDPUZBA-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.74
Rot. Bonds7

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

2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 31149030) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID31149030
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-18-7-9-19(10-8-18)21(27)11-12-23(29)26-15-13-25(14-16-26)17-22(28)24-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,24,28)
InChIKeyQJQGDGVFDPUZBA-UHFFFAOYSA-N
XLogP2.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 34435067
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31348719
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
2-[4-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9405198
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione
CID 71102379
2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 60503858
1-(4-methylphenyl)-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]butane-1,4-dione
CID 108545552

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide (CID 31149030) is 2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide is Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is QJQGDGVFDPUZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-18-7-9-19(10-8-18)21(27)11-12-23(29)26-15-13-25(14-16-26)17-22(28)24-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,24,28).
What are the key properties of 2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 393.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31149030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).