2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide

C20H24FN3O2 — CID 36947804

IUPAC2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(CCOc2cccc(F)c2)CC1)Nc1ccccc1
InChIInChI=1S/C20H24FN3O2/c21-17-5-4-8-19(15-17)26-14-13-23-9-11-24(12-10-23)16-20(25)22-18-6-2-1-3-7-18/h1-8,15H,9-14,16H2,(H,22,25)
InChIKeyFDZHCOMKTCLUIE-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.46
Rot. Bonds7

About 2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 36947804) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID36947804
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(CCOc2cccc(F)c2)CC1)Nc1ccccc1
InChIInChI=1S/C20H24FN3O2/c21-17-5-4-8-19(15-17)26-14-13-23-9-11-24(12-10-23)16-20(25)22-18-6-2-1-3-7-18/h1-8,15H,9-14,16H2,(H,22,25)
InChIKeyFDZHCOMKTCLUIE-UHFFFAOYSA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8711189
N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8719245
N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide
CID 9020203
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide
CID 8804901
1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 46444102
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
propan-2-yl 4-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzoate
CID 9259667
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide (CID 36947804) is 2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(CCOc2cccc(F)c2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is FDZHCOMKTCLUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-17-5-4-8-19(15-17)26-14-13-23-9-11-24(12-10-23)16-20(25)22-18-6-2-1-3-7-18/h1-8,15H,9-14,16H2,(H,22,25).
What are the key properties of 2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 357.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 36947804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).