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

C21H23F2N3O3 — CID 78896184

IUPAC3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(C(=O)COc2ccc(F)cc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C21H23F2N3O3/c22-16-4-6-19(7-5-16)29-15-21(28)26-12-10-25(11-13-26)9-8-20(27)24-18-3-1-2-17(23)14-18/h1-7,14H,8-13,15H2,(H,24,27)
InChIKeyULEVSDDHEQRSLG-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.52
Rot. Bonds7

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

3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 78896184) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
PubChem CID78896184
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(C(=O)COc2ccc(F)cc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C21H23F2N3O3/c22-16-4-6-19(7-5-16)29-15-21(28)26-12-10-25(11-13-26)9-8-20(27)24-18-3-1-2-17(23)14-18/h1-7,14H,8-13,15H2,(H,24,27)
InChIKeyULEVSDDHEQRSLG-UHFFFAOYSA-N
XLogP2.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
2-[4-[2-(4-ethylphenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020191
N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 87017025
3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide
CID 110422037
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666265
N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 78896187
N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide
CID 9020203
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
N-(3-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 33363762
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide (CID 78896184) is 3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide is O=C(CCN1CCN(C(=O)COc2ccc(F)cc2)CC1)Nc1cccc(F)c1.
What is the InChIKey of 3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is ULEVSDDHEQRSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c22-16-4-6-19(7-5-16)29-15-21(28)26-12-10-25(11-13-26)9-8-20(27)24-18-3-1-2-17(23)14-18/h1-7,14H,8-13,15H2,(H,24,27).
What are the key properties of 3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 403.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 78896184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).