2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone

C13H19N3O2 — CID 141462350

IUPAC2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
SMILESCOc1cc(CC(=O)N2CCNCC2)ccc1N
InChIInChI=1S/C13H19N3O2/c1-18-12-8-10(2-3-11(12)14)9-13(17)16-6-4-15-5-7-16/h2-3,8,15H,4-7,9,14H2,1H3
InChIKeyIPPPKZPJMORYRM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.25
Rot. Bonds3

About 2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone

2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone (PubChem CID 141462350) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
PubChem CID141462350
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
SMILESCOc1cc(CC(=O)N2CCNCC2)ccc1N
InChIInChI=1S/C13H19N3O2/c1-18-12-8-10(2-3-11(12)14)9-13(17)16-6-4-15-5-7-16/h2-3,8,15H,4-7,9,14H2,1H3
InChIKeyIPPPKZPJMORYRM-UHFFFAOYSA-N
XLogP0.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82090895
3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82071054
3-(3-amino-4-methoxyphenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 82153341
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone
CID 107664987
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 110365843
2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82134931
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone (CID 141462350) is 2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone is COc1cc(CC(=O)N2CCNCC2)ccc1N.
What is the InChIKey of 2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone?
The InChIKey is IPPPKZPJMORYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-8-10(2-3-11(12)14)9-13(17)16-6-4-15-5-7-16/h2-3,8,15H,4-7,9,14H2,1H3.
What are the key properties of 2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone?
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone has a molecular weight of 249.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 141462350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).