2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide

C21H23N3O3 — CID 108508402

IUPAC2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c1-17(25)22-12-14-23(15-13-22)20(26)21(27)24(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKeySXLSVFPRTQNADT-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide

2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide (PubChem CID 108508402) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide
PubChem CID108508402
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c1-17(25)22-12-14-23(15-13-22)20(26)21(27)24(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKeySXLSVFPRTQNADT-UHFFFAOYSA-N
XLogP1.91
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-oxo-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108528253
1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone
CID 108996199
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
CID 108518814
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide
CID 42859271
N-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-N-phenylacetamide
CID 47336148
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
CID 46056527
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
CID 108516956
N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990448
2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide
CID 9205532
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide (CID 108508402) is 2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide is CC(=O)N1CCN(C(=O)C(=O)N(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide?
The InChIKey is SXLSVFPRTQNADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-17(25)22-12-14-23(15-13-22)20(26)21(27)24(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide?
2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide has a molecular weight of 365.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide is sourced from PubChem (CID 108508402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).