1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone

C19H22N2O3 — CID 798794

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-17-9-7-16(8-10-17)20-11-13-21(14-12-20)19(22)15-24-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
InChIKeyCZASERPDINYWSP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.42
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 798794) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID798794
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-17-9-7-16(8-10-17)20-11-13-21(14-12-20)19(22)15-24-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
InChIKeyCZASERPDINYWSP-UHFFFAOYSA-N
XLogP2.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

Samelisant
CID 60151477
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
Piperazine, 1-(3-phenoxypropyl)-4-phenyl-
CID 3050372
Phenoxyacetanilide
CID 264248
1-(4-Phenoxyphenyl)piperazine
CID 3017356
Ucm 765
CID 24749950
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(4-(4-Methoxyphenyl)piperazin-1-yl)ethanone
CID 831828
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
1-[4-(1-Cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one
CID 162653341
4H-Benzo[1,4]oxazin-3-one, 4-(2-morpholin-4-yl-2-oxoethyl)-
CID 758044

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone (CID 798794) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone is COc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is CZASERPDINYWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-9-7-16(8-10-17)20-11-13-21(14-12-20)19(22)15-24-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 326.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 798794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).