2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

C19H23N3O2 — CID 9048338

IUPAC2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
SMILESCc1cc(C)cc(OCC(=O)N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-15-11-16(2)13-18(12-15)24-14-19(23)22-9-7-21(8-10-22)17-3-5-20-6-4-17/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyIEKKZFUSGSTRBQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.43
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone (PubChem CID 9048338) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
PubChem CID9048338
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
SMILESCc1cc(C)cc(OCC(=O)N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-15-11-16(2)13-18(12-15)24-14-19(23)22-9-7-21(8-10-22)17-3-5-20-6-4-17/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyIEKKZFUSGSTRBQ-UHFFFAOYSA-N
XLogP2.43
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2381168
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
4-ethyl-7-methyl-5-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethoxy]chromen-2-one
CID 171387322
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344
2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9254024
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 2984231
2-[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 119934690
1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 2709723
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
2-(3,5-dimethylphenoxy)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]ethanone
CID 4268750
2-(4-bromo-2-fluorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 31564856
1-(4-pyridin-4-ylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 9048368

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone (CID 9048338) is 2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone is Cc1cc(C)cc(OCC(=O)N2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is IEKKZFUSGSTRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-11-16(2)13-18(12-15)24-14-19(23)22-9-7-21(8-10-22)17-3-5-20-6-4-17/h3-6,11-13H,7-10,14H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 9048338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).