2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide

C15H21N3O2 — CID 2697560

IUPAC2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-12-3-5-14(6-4-12)16-15(20)11-17-7-9-18(10-8-17)13(2)19/h3-6H,7-11H2,1-2H3,(H,16,20)
InChIKeyKNTZKJRMRRHNHN-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.10
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 2697560) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID2697560
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-12-3-5-14(6-4-12)16-15(20)11-17-7-9-18(10-8-17)13(2)19/h3-6H,7-11H2,1-2H3,(H,16,20)
InChIKeyKNTZKJRMRRHNHN-UHFFFAOYSA-N
XLogP1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8904009
4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8904118
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
CID 171327747
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 55364420
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane
CID 162725444
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8932201
2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 18115509
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide (CID 2697560) is 2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is KNTZKJRMRRHNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-3-5-14(6-4-12)16-15(20)11-17-7-9-18(10-8-17)13(2)19/h3-6H,7-11H2,1-2H3,(H,16,20).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.10, 3 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 2697560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).