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

C23H30FN3O2 — CID 78754849

IUPAC2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCCOc1ccccc1N1CCN(C(C)C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FN3O2/c1-3-29-22-7-5-4-6-21(22)27-16-14-26(15-17-27)18(2)23(28)25-13-12-19-8-10-20(24)11-9-19/h4-11,18H,3,12-17H2,1-2H3,(H,25,28)
InChIKeyOYJIARXTAGXQFO-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.09
Rot. Bonds8

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

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 78754849) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID78754849
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCCOc1ccccc1N1CCN(C(C)C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FN3O2/c1-3-29-22-7-5-4-6-21(22)27-16-14-26(15-17-27)18(2)23(28)25-13-12-19-8-10-20(24)11-9-19/h4-11,18H,3,12-17H2,1-2H3,(H,25,28)
InChIKeyOYJIARXTAGXQFO-UHFFFAOYSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 9430380
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 9430394
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 9430316
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242573
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9430320
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9430472
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 9430403
N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109204
(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 9430308

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 78754849) is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide is CCOc1ccccc1N1CCN(C(C)C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is OYJIARXTAGXQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-3-29-22-7-5-4-6-21(22)27-16-14-26(15-17-27)18(2)23(28)25-13-12-19-8-10-20(24)11-9-19/h4-11,18H,3,12-17H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 399.51 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 78754849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).