2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

C19H23N3O2 — CID 2944676

IUPAC2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESCCC(Oc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O2/c1-2-17(24-16-8-4-3-5-9-16)19(23)22-14-12-21(13-15-22)18-10-6-7-11-20-18/h3-11,17H,2,12-15H2,1H3
InChIKeyFXQSPBGOYOZCPZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.59
Rot. Bonds5

About 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 2944676) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
PubChem CID2944676
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESCCC(Oc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O2/c1-2-17(24-16-8-4-3-5-9-16)19(23)22-14-12-21(13-15-22)18-10-6-7-11-20-18/h3-11,17H,2,12-15H2,1H3
InChIKeyFXQSPBGOYOZCPZ-UHFFFAOYSA-N
XLogP2.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (CID 2944676) is 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is CCC(Oc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is FXQSPBGOYOZCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-17(24-16-8-4-3-5-9-16)19(23)22-14-12-21(13-15-22)18-10-6-7-11-20-18/h3-11,17H,2,12-15H2,1H3.
What are the key properties of 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 325.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 2944676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).