3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide

C17H26FN3O — CID 109012608

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H26FN3O/c1-14(2)13-19-17(22)7-8-20-9-11-21(12-10-20)16-6-4-3-5-15(16)18/h3-6,14H,7-13H2,1-2H3,(H,19,22)
InChIKeyIJERJOPOHYRDKN-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.11
Rot. Bonds6

About 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide

3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 109012608) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID109012608
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H26FN3O/c1-14(2)13-19-17(22)7-8-20-9-11-21(12-10-20)16-6-4-3-5-15(16)18/h3-6,14H,7-13H2,1-2H3,(H,19,22)
InChIKeyIJERJOPOHYRDKN-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

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Related Compounds

3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012594
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019783
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 109004402
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012792
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109029939
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109029942

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide (CID 109012608) is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is IJERJOPOHYRDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-14(2)13-19-17(22)7-8-20-9-11-21(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 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide 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 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 109012608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).