N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide

C17H27N3O — CID 22196969

IUPACN-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-4-7-19-8-10-20(11-9-19)13-17(21)18-16-12-14(2)5-6-15(16)3/h5-6,12H,4,7-11,13H2,1-3H3,(H,18,21)
InChIKeyXEYNXFMOHSZEAY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.27
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide

N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide (PubChem CID 22196969) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
PubChem CID22196969
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-4-7-19-8-10-20(11-9-19)13-17(21)18-16-12-14(2)5-6-15(16)3/h5-6,12H,4,7-11,13H2,1-3H3,(H,18,21)
InChIKeyXEYNXFMOHSZEAY-UHFFFAOYSA-N
XLogP2.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
N-(2,5-dimethylphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998269
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8719515
N-(2,5-dimethylphenyl)-2-[4-[(4-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 171335151
N-(2,5-dimethylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434223
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide (CID 22196969) is N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide is CCCN1CCN(CC(=O)Nc2cc(C)ccc2C)CC1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide?
The InChIKey is XEYNXFMOHSZEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-7-19-8-10-20(11-9-19)13-17(21)18-16-12-14(2)5-6-15(16)3/h5-6,12H,4,7-11,13H2,1-3H3,(H,18,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide is sourced from PubChem (CID 22196969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).