N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C23H30FN3O — CID 109027339

IUPACN-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FN3O/c1-3-18-6-5-7-19(4-2)23(18)25-22(28)12-13-26-14-16-27(17-15-26)21-10-8-20(24)9-11-21/h5-11H,3-4,12-17H2,1-2H3,(H,25,28)
InChIKeyYLZWDFWRCWXYRK-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.10
Rot. Bonds7

About N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 109027339) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID109027339
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC NameN-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FN3O/c1-3-18-6-5-7-19(4-2)23(18)25-22(28)12-13-26-14-16-27(17-15-26)21-10-8-20(24)9-11-21/h5-11H,3-4,12-17H2,1-2H3,(H,25,28)
InChIKeyYLZWDFWRCWXYRK-UHFFFAOYSA-N
XLogP4.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019613
methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109027365
N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027329
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012594
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695542
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51302573
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 42857988
N-[2-(4-fluorophenyl)ethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109024942
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 109027339) is N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CCc1cccc(CC)c1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is YLZWDFWRCWXYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-3-18-6-5-7-19(4-2)23(18)25-22(28)12-13-26-14-16-27(17-15-26)21-10-8-20(24)9-11-21/h5-11H,3-4,12-17H2,1-2H3,(H,25,28).
What are the key properties of N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 383.51 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109027339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).