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

C21H26FN3O2 — CID 4226151

IUPACN-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-2-27-18-9-7-17(8-10-18)23-21(26)11-12-24-13-15-25(16-14-24)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyBZQNGDFWFBIFAC-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.38
Rot. Bonds7

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

N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 4226151) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID4226151
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O2/c1-2-27-18-9-7-17(8-10-18)23-21(26)11-12-24-13-15-25(16-14-24)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyBZQNGDFWFBIFAC-UHFFFAOYSA-N
XLogP3.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (CID 4226151) is N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is CCOc1ccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is BZQNGDFWFBIFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-2-27-18-9-7-17(8-10-18)23-21(26)11-12-24-13-15-25(16-14-24)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 4226151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).