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

C13H19N3O — CID 69030139

IUPAC2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(N2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C13H19N3O/c1-11-2-4-12(5-3-11)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17)
InChIKeyYWXZNURRPRGPHV-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.60
Rot. Bonds3

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

2-[4-(4-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 69030139) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
PubChem CID69030139
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(N2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C13H19N3O/c1-11-2-4-12(5-3-11)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17)
InChIKeyYWXZNURRPRGPHV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198584
1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine
CID 782041
2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide
CID 69033368
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
2-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]acetamide
CID 142637723
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide
CID 166831802
1-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 161300230
2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 154447735
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 163474801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(4-methylphenyl)piperazin-1-yl]acetamide (CID 69030139) is 2-[4-(4-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)piperazin-1-yl]acetamide is Cc1ccc(N2CCN(CC(N)=O)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is YWXZNURRPRGPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11-2-4-12(5-3-11)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-(4-methylphenyl)piperazin-1-yl]acetamide?
2-[4-(4-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-(4-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 69030139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).