N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide

C12H16FN3O — CID 20785639

IUPACN-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C12H16FN3O/c1-9(17)15-10-2-3-12(11(13)8-10)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyHHMJEVOPQWNUFR-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.19
Rot. Bonds2

About N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide

N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide (PubChem CID 20785639) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
PubChem CID20785639
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C12H16FN3O/c1-9(17)15-10-2-3-12(11(13)8-10)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyHHMJEVOPQWNUFR-UHFFFAOYSA-N
XLogP1.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide 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-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
acetamide;N-(3-fluoro-4-piperazin-1-ylphenyl)-3-methylbutanamide
CID 143923829
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-ethyl-3-fluoro-4-piperazin-1-ylaniline
CID 70934986
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
1-(2-fluoro-4-methylsulfinylphenyl)piperazine
CID 135346718
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 116676043

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide?
The IUPAC name of N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide (CID 20785639) is N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide?
The canonical SMILES for N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide is CC(=O)Nc1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide?
The InChIKey is HHMJEVOPQWNUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-9(17)15-10-2-3-12(11(13)8-10)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,17).
What are the key properties of N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide?
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide has a molecular weight of 237.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide is sourced from PubChem (CID 20785639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).