2-(4-piperazin-1-ylphenyl)propanamide

C13H19N3O — CID 178004680

IUPAC2-(4-piperazin-1-ylphenyl)propanamide
SMILESCC(C(N)=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H19N3O/c1-10(13(14)17)11-2-4-12(5-3-11)16-8-6-15-7-9-16/h2-5,10,15H,6-9H2,1H3,(H2,14,17)
InChIKeyZVTMPFZWXOSIFE-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.69
Rot. Bonds3

About 2-(4-piperazin-1-ylphenyl)propanamide

2-(4-piperazin-1-ylphenyl)propanamide (PubChem CID 178004680) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-(4-piperazin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-piperazin-1-ylphenyl)propanamide
PubChem CID178004680
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name2-(4-piperazin-1-ylphenyl)propanamide
SMILESCC(C(N)=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H19N3O/c1-10(13(14)17)11-2-4-12(5-3-11)16-8-6-15-7-9-16/h2-5,10,15H,6-9H2,1H3,(H2,14,17)
InChIKeyZVTMPFZWXOSIFE-UHFFFAOYSA-N
XLogP0.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-piperazin-1-ylphenyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(1-fluoroethyl)phenyl]piperazine
CID 115025940
3,4-dihydroxy-4-(4-piperazin-1-ylphenyl)butanamide
CID 171899991
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
4-(1,4-diazepan-1-yl)benzamide;hydrochloride
CID 68552362
2-bromo-N-(4-piperazin-1-ylphenyl)propanamide
CID 57161707
hydroxy-methyl-(4-piperazin-1-ylphenyl)sulfanium
CID 143288996
S-[2,3-dihydroxy-3-(4-piperazin-1-ylphenyl)propyl] ethanethioate
CID 170822751
2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol
CID 20785430
2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol
CID 83971909
2-(2-oxo-6-piperazin-1-ylquinolin-1-yl)propanamide
CID 117099754
4-(4-piperazin-1-ylphenyl)but-3-ynamide
CID 170473841
2-(1-oxo-6-piperazin-1-ylisoquinolin-2-yl)propanamide
CID 117099807

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperazin-1-ylphenyl)propanamide?
The IUPAC name of 2-(4-piperazin-1-ylphenyl)propanamide (CID 178004680) is 2-(4-piperazin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-piperazin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(4-piperazin-1-ylphenyl)propanamide is CC(C(N)=O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 2-(4-piperazin-1-ylphenyl)propanamide?
The InChIKey is ZVTMPFZWXOSIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(13(14)17)11-2-4-12(5-3-11)16-8-6-15-7-9-16/h2-5,10,15H,6-9H2,1H3,(H2,14,17).
What are the key properties of 2-(4-piperazin-1-ylphenyl)propanamide?
2-(4-piperazin-1-ylphenyl)propanamide has a molecular weight of 233.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperazin-1-ylphenyl)propanamide is sourced from PubChem (CID 178004680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).