4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide

C15H23FN4O — CID 66428406

IUPAC4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CC(CN)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H23FN4O/c1-18-15(21)10-12(11-17)19-6-8-20(9-7-19)14-5-3-2-4-13(14)16/h2-5,12H,6-11,17H2,1H3,(H,18,21)
InChIKeyWJVQQMCIAPTHJF-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.41
Rot. Bonds5

About 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide

4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide (PubChem CID 66428406) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide
PubChem CID66428406
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CC(CN)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H23FN4O/c1-18-15(21)10-12(11-17)19-6-8-20(9-7-19)14-5-3-2-4-13(14)16/h2-5,12H,6-11,17H2,1H3,(H,18,21)
InChIKeyWJVQQMCIAPTHJF-UHFFFAOYSA-N
XLogP0.41
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide 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

4-ethylsulfanyl-2-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-amine
CID 116504002
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutanamide
CID 66427347
2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
CID 61325786
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine
CID 60917598
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
4-amino-N-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 66426715
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide?
The IUPAC name of 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide (CID 66428406) is 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide is CNC(=O)CC(CN)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide?
The InChIKey is WJVQQMCIAPTHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-18-15(21)10-12(11-17)19-6-8-20(9-7-19)14-5-3-2-4-13(14)16/h2-5,12H,6-11,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide?
4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide has a molecular weight of 294.37 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide is sourced from PubChem (CID 66428406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).