2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone

C13H19N3O — CID 82510307

IUPAC2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone
SMILESCc1cccc(C(N)C(=O)N2CCNCC2)c1
InChIInChI=1S/C13H19N3O/c1-10-3-2-4-11(9-10)12(14)13(17)16-7-5-15-6-8-16/h2-4,9,12,15H,5-8,14H2,1H3
InChIKeySHGUIVKPXMXLCG-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.43
Rot. Bonds2

About 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone

2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone (PubChem CID 82510307) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone
PubChem CID82510307
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone
SMILESCc1cccc(C(N)C(=O)N2CCNCC2)c1
InChIInChI=1S/C13H19N3O/c1-10-3-2-4-11(9-10)12(14)13(17)16-7-5-15-6-8-16/h2-4,9,12,15H,5-8,14H2,1H3
InChIKeySHGUIVKPXMXLCG-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone (CID 82510307) is 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone is Cc1cccc(C(N)C(=O)N2CCNCC2)c1.
What is the InChIKey of 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone?
The InChIKey is SHGUIVKPXMXLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-3-2-4-11(9-10)12(14)13(17)16-7-5-15-6-8-16/h2-4,9,12,15H,5-8,14H2,1H3.
What are the key properties of 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone?
2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone has a molecular weight of 233.32 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82510307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).