N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide

C21H26FN3O — CID 17400855

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide
SMILESCCN1CCN(c2ccc(NC(=O)CCc3ccccc3F)cc2)CC1
InChIInChI=1S/C21H26FN3O/c1-2-24-13-15-25(16-14-24)19-10-8-18(9-11-19)23-21(26)12-7-17-5-3-4-6-20(17)22/h3-6,8-11H,2,7,12-16H2,1H3,(H,23,26)
InChIKeyHCRADJSQOPDTPP-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.54
Rot. Bonds6

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide (PubChem CID 17400855) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide
PubChem CID17400855
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide
SMILESCCN1CCN(c2ccc(NC(=O)CCc3ccccc3F)cc2)CC1
InChIInChI=1S/C21H26FN3O/c1-2-24-13-15-25(16-14-24)19-10-8-18(9-11-19)23-21(26)12-7-17-5-3-4-6-20(17)22/h3-6,8-11H,2,7,12-16H2,1H3,(H,23,26)
InChIKeyHCRADJSQOPDTPP-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
CID 650852
3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-fluorobenzoate
CID 16624616
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110673094
3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 17421203
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 9329096
3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]propanamide
CID 6965904
3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109020961

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide (CID 17400855) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide is CCN1CCN(c2ccc(NC(=O)CCc3ccccc3F)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is HCRADJSQOPDTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-2-24-13-15-25(16-14-24)19-10-8-18(9-11-19)23-21(26)12-7-17-5-3-4-6-20(17)22/h3-6,8-11H,2,7,12-16H2,1H3,(H,23,26).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 355.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 17400855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).