2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide

C17H26FN3O — CID 109004402

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H26FN3O/c1-14(2)7-8-19-17(22)13-20-9-11-21(12-10-20)16-6-4-3-5-15(16)18/h3-6,14H,7-13H2,1-2H3,(H,19,22)
InChIKeyJTTGJKKDCVFGPY-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.11
Rot. Bonds6

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 109004402) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID109004402
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H26FN3O/c1-14(2)7-8-19-17(22)13-20-9-11-21(12-10-20)16-6-4-3-5-15(16)18/h3-6,14H,7-13H2,1-2H3,(H,19,22)
InChIKeyJTTGJKKDCVFGPY-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8582985
N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 109002098
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31339544
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 27150831
N-(ethylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150301
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide (CID 109004402) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is JTTGJKKDCVFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-14(2)7-8-19-17(22)13-20-9-11-21(12-10-20)16-6-4-3-5-15(16)18/h3-6,14H,7-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 307.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 109004402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).