N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide

C15H24N4O — CID 91676100

IUPACN-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-3-15(20)17-12-5-6-14(13(16)11-12)19-9-7-18(4-2)8-10-19/h5-6,11H,3-4,7-10,16H2,1-2H3,(H,17,20)
InChIKeyICBQGXPVLTWSLF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds4

About N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide

N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide (PubChem CID 91676100) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
PubChem CID91676100
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-3-15(20)17-12-5-6-14(13(16)11-12)19-9-7-18(4-2)8-10-19/h5-6,11H,3-4,7-10,16H2,1-2H3,(H,17,20)
InChIKeyICBQGXPVLTWSLF-UHFFFAOYSA-N
XLogP1.76
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]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

N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 91676128
N-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 91676098
N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide
CID 91676069
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119419669
2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-5-(propanoylamino)benzoic acid
CID 46363177
N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 119419850
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide
CID 91677313
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide (CID 91676100) is N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide is CCC(=O)Nc1ccc(N2CCN(CC)CC2)c(N)c1.
What is the InChIKey of N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is ICBQGXPVLTWSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-15(20)17-12-5-6-14(13(16)11-12)19-9-7-18(4-2)8-10-19/h5-6,11H,3-4,7-10,16H2,1-2H3,(H,17,20).
What are the key properties of N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide?
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 91676100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).