2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide

C21H25N3O2 — CID 9223540

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-2-17-8-10-19(11-9-17)22-20(25)16-23-12-14-24(15-13-23)21(26)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,22,25)
InChIKeyLNCAYXYBZLDBPL-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 9223540) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
PubChem CID9223540
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-2-17-8-10-19(11-9-17)22-20(25)16-23-12-14-24(15-13-23)21(26)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,22,25)
InChIKeyLNCAYXYBZLDBPL-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
CID 9223598
N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 30872026
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
2-[4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149940
2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide
CID 9223268
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 134006916
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide
CID 55718532
N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide
CID 177160364

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide (CID 9223540) is 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is LNCAYXYBZLDBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-17-8-10-19(11-9-17)22-20(25)16-23-12-14-24(15-13-23)21(26)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,22,25).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 9223540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).