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

C17H26FN3O — CID 46043414

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H26FN3O/c1-13(2)12-19-17(22)14(3)20-8-10-21(11-9-20)16-7-5-4-6-15(16)18/h4-7,13-14H,8-12H2,1-3H3,(H,19,22)
InChIKeyXDVIQZDJBWOZAP-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.11
Rot. Bonds5

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 46043414) 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-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID46043414
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H26FN3O/c1-13(2)12-19-17(22)14(3)20-8-10-21(11-9-20)16-7-5-4-6-15(16)18/h4-7,13-14H,8-12H2,1-3H3,(H,19,22)
InChIKeyXDVIQZDJBWOZAP-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242573
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
CID 9275099
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 92987715
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809937
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 51322795
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012792
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165674

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide (CID 46043414) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is XDVIQZDJBWOZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-13(2)12-19-17(22)14(3)20-8-10-21(11-9-20)16-7-5-4-6-15(16)18/h4-7,13-14H,8-12H2,1-3H3,(H,19,22).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 307.41 g/mol, XLogP of 2.11, 5 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 46043414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).