2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide

C16H25N3O — CID 62537843

IUPAC2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H25N3O/c1-13-3-4-14(2)15(11-13)12-16(20)18-7-10-19-8-5-17-6-9-19/h3-4,11,17H,5-10,12H2,1-2H3,(H,18,20)
InChIKeyHYKBDDHJLKESMN-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.87
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide

2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 62537843) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID62537843
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H25N3O/c1-13-3-4-14(2)15(11-13)12-16(20)18-7-10-19-8-5-17-6-9-19/h3-4,11,17H,5-10,12H2,1-2H3,(H,18,20)
InChIKeyHYKBDDHJLKESMN-UHFFFAOYSA-N
XLogP0.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119448232
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446180
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897157
3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223
N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108517726
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108899068
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide (CID 62537843) is 2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide is Cc1ccc(C)c(CC(=O)NCCN2CCNCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is HYKBDDHJLKESMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-3-4-14(2)15(11-13)12-16(20)18-7-10-19-8-5-17-6-9-19/h3-4,11,17H,5-10,12H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 62537843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).