2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide

C17H25N3O2 — CID 8904308

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C17H25N3O2/c1-13(2)15-6-4-5-7-16(15)18-17(22)12-19-8-10-20(11-9-19)14(3)21/h4-7,13H,8-12H2,1-3H3,(H,18,22)
InChIKeyUKWJSJYKXATNPK-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.91
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 8904308) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID8904308
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C17H25N3O2/c1-13(2)15-6-4-5-7-16(15)18-17(22)12-19-8-10-20(11-9-19)14(3)21/h4-7,13H,8-12H2,1-3H3,(H,18,22)
InChIKeyUKWJSJYKXATNPK-UHFFFAOYSA-N
XLogP1.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109018344
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 78900724
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 136522491
3-(4-benzylpiperazin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide
CID 108949326
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86920153
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8759408
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 115647804

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 8904308) is 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccccc2C(C)C)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is UKWJSJYKXATNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)15-6-4-5-7-16(15)18-17(22)12-19-8-10-20(11-9-19)14(3)21/h4-7,13H,8-12H2,1-3H3,(H,18,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 8904308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).