2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

C13H19N3O — CID 3088677

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1N1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H19N3O/c1-11-4-2-3-5-12(11)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17)
InChIKeyXBFDFIAGHTYCFC-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.60
Rot. Bonds3

About 2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

2-[4-(2-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 3088677) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
PubChem CID3088677
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1N1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H19N3O/c1-11-4-2-3-5-12(11)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17)
InChIKeyXBFDFIAGHTYCFC-UHFFFAOYSA-N
XLogP0.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8726217
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]acetamide (CID 3088677) is 2-[4-(2-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]acetamide is Cc1ccccc1N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is XBFDFIAGHTYCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11-4-2-3-5-12(11)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17).
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3088677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).