2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide

C21H28N4O — CID 119902072

IUPAC2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCC(CNC(=O)Cc1ccc(N)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H28N4O/c1-17(16-23-21(26)15-18-7-9-19(22)10-8-18)24-11-13-25(14-12-24)20-5-3-2-4-6-20/h2-10,17H,11-16,22H2,1H3,(H,23,26)
InChIKeyUWIWWEQYBBOXLU-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.14
Rot. Bonds6

About 2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide

2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 119902072) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID119902072
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCC(CNC(=O)Cc1ccc(N)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H28N4O/c1-17(16-23-21(26)15-18-7-9-19(22)10-8-18)24-11-13-25(14-12-24)20-5-3-2-4-6-20/h2-10,17H,11-16,22H2,1H3,(H,23,26)
InChIKeyUWIWWEQYBBOXLU-UHFFFAOYSA-N
XLogP2.14
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55694978
4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120597574
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119902110
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide
CID 78873190
4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 55694698
N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide
CID 55695142
2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 119885899

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide (CID 119902072) is 2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide is CC(CNC(=O)Cc1ccc(N)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is UWIWWEQYBBOXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17(16-23-21(26)15-18-7-9-19(22)10-8-18)24-11-13-25(14-12-24)20-5-3-2-4-6-20/h2-10,17H,11-16,22H2,1H3,(H,23,26).
What are the key properties of 2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide?
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 119902072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).