2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide

C15H22FN3O — CID 120756453

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H22FN3O/c1-2-6-18-15(20)11-19-8-7-17-10-14(19)12-4-3-5-13(16)9-12/h3-5,9,14,17H,2,6-8,10-11H2,1H3,(H,18,20)
InChIKeyJULAKQAGKBGJHV-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.30
Rot. Bonds5

About 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide

2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 120756453) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
PubChem CID120756453
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H22FN3O/c1-2-6-18-15(20)11-19-8-7-17-10-14(19)12-4-3-5-13(16)9-12/h3-5,9,14,17H,2,6-8,10-11H2,1H3,(H,18,20)
InChIKeyJULAKQAGKBGJHV-UHFFFAOYSA-N
XLogP1.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide 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-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
N-[2-(2,6-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757114
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756694
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120757042
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757002
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120756974
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide (CID 120756453) is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is JULAKQAGKBGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-6-18-15(20)11-19-8-7-17-10-14(19)12-4-3-5-13(16)9-12/h3-5,9,14,17H,2,6-8,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide?
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 279.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 120756453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).