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

C15H21FN4O2 — CID 120756233

IUPAC3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H21FN4O2/c1-17-15(22)19-14(21)5-7-20-8-6-18-10-13(20)11-3-2-4-12(16)9-11/h2-4,9,13,18H,5-8,10H2,1H3,(H2,17,19,21,22)
InChIKeyVOONEZJSIDEZBD-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.62
Rot. Bonds4

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

3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 120756233) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID120756233
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H21FN4O2/c1-17-15(22)19-14(21)5-7-20-8-6-18-10-13(20)11-3-2-4-12(16)9-11/h2-4,9,13,18H,5-8,10H2,1H3,(H2,17,19,21,22)
InChIKeyVOONEZJSIDEZBD-UHFFFAOYSA-N
XLogP0.62
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120770777
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride
CID 120756714
N-[(2,3-dimethylphenyl)carbamoyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756139
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756694

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 120756233) is 3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN1CCNCC1c1cccc(F)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is VOONEZJSIDEZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-17-15(22)19-14(21)5-7-20-8-6-18-10-13(20)11-3-2-4-12(16)9-11/h2-4,9,13,18H,5-8,10H2,1H3,(H2,17,19,21,22).
What are the key properties of 3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 308.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 120756233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).