3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one

C18H20FN3O2 — CID 120731728

IUPAC3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCOc1ccccc1F)N1CCNCC1c1cccnc1
InChIInChI=1S/C18H20FN3O2/c19-15-5-1-2-6-17(15)24-11-7-18(23)22-10-9-21-13-16(22)14-4-3-8-20-12-14/h1-6,8,12,16,21H,7,9-11,13H2
InChIKeyHWORRKCXYCEQPX-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.16
Rot. Bonds5

About 3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one

3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one (PubChem CID 120731728) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
PubChem CID120731728
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCOc1ccccc1F)N1CCNCC1c1cccnc1
InChIInChI=1S/C18H20FN3O2/c19-15-5-1-2-6-17(15)24-11-7-18(23)22-10-9-21-13-16(22)14-4-3-8-20-12-14/h1-6,8,12,16,21H,7,9-11,13H2
InChIKeyHWORRKCXYCEQPX-UHFFFAOYSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120732026
3-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730564
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755770
4-(2,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120732685
1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 120729948
4-(3-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731482
3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
CID 120731940
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
3-(4-methylpentan-2-yloxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730863
2,4-difluoro-N-[4-oxo-4-(2-pyridin-3-ylpiperazin-1-yl)butyl]benzamide
CID 120732163
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one (CID 120731728) is 3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one is O=C(CCOc1ccccc1F)N1CCNCC1c1cccnc1.
What is the InChIKey of 3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The InChIKey is HWORRKCXYCEQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-5-1-2-6-17(15)24-11-7-18(23)22-10-9-21-13-16(22)14-4-3-8-20-12-14/h1-6,8,12,16,21H,7,9-11,13H2.
What are the key properties of 3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one has a molecular weight of 329.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 120731728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).