2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C19H23N3O3 — CID 3246797

IUPAC2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-15(25-17-8-6-16(24-2)7-9-17)19(23)22-13-11-21(12-14-22)18-5-3-4-10-20-18/h3-10,15H,11-14H2,1-2H3
InChIKeyWYOQMIREDZFWEO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.21
Rot. Bonds5

About 2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 3246797) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID3246797
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-15(25-17-8-6-16(24-2)7-9-17)19(23)22-13-11-21(12-14-22)18-5-3-4-10-20-18/h3-10,15H,11-14H2,1-2H3
InChIKeyWYOQMIREDZFWEO-UHFFFAOYSA-N
XLogP2.21
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 3246797) is 2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is COc1ccc(OC(C)C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is WYOQMIREDZFWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-15(25-17-8-6-16(24-2)7-9-17)19(23)22-13-11-21(12-14-22)18-5-3-4-10-20-18/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 341.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 3246797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).