2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C18H28N4O2 — CID 8917553

IUPAC2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)NCCN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C18H28N4O2/c1-14-5-4-6-15(2)18(14)20-17(24)13-22-11-9-21(10-12-22)8-7-19-16(3)23/h4-6H,7-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyVQUGBFOUEKIFMX-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.00
Rot. Bonds6

About 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 8917553) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID8917553
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)NCCN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C18H28N4O2/c1-14-5-4-6-15(2)18(14)20-17(24)13-22-11-9-21(10-12-22)8-7-19-16(3)23/h4-6H,7-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyVQUGBFOUEKIFMX-UHFFFAOYSA-N
XLogP1.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
N-(2,6-dimethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide
CID 120982303
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9435782
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 33075299
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)acetamide
CID 6458103
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-(2,6-dimethylphenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8917545
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 8917553) is 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is CC(=O)NCCN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is VQUGBFOUEKIFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-5-4-6-15(2)18(14)20-17(24)13-22-11-9-21(10-12-22)8-7-19-16(3)23/h4-6H,7-13H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 8917553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).