2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C19H22ClN3O2 — CID 1226363

IUPAC2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-19(2,25-16-8-6-15(20)7-9-16)18(24)23-13-11-22(12-14-23)17-5-3-4-10-21-17/h3-10H,11-14H2,1-2H3
InChIKeyNXXBHIKYFWORGO-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.24
Rot. Bonds4

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

2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 1226363) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID1226363
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-19(2,25-16-8-6-15(20)7-9-16)18(24)23-13-11-22(12-14-23)17-5-3-4-10-21-17/h3-10H,11-14H2,1-2H3
InChIKeyNXXBHIKYFWORGO-UHFFFAOYSA-N
XLogP3.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-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-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 1226363) is 2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is NXXBHIKYFWORGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-19(2,25-16-8-6-15(20)7-9-16)18(24)23-13-11-22(12-14-23)17-5-3-4-10-21-17/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 359.86 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 1226363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).