1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone

C23H24N2O3 — CID 1298087

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
SMILESCOc1ccc(N2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-20-11-9-19(10-12-20)24-13-15-25(16-14-24)23(26)17-28-22-8-4-6-18-5-2-3-7-21(18)22/h2-12H,13-17H2,1H3
InChIKeyRGBJARUQSUETLP-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.58
Rot. Bonds5

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

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone (PubChem CID 1298087) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
PubChem CID1298087
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
SMILESCOc1ccc(N2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-20-11-9-19(10-12-20)24-13-15-25(16-14-24)23(26)17-28-22-8-4-6-18-5-2-3-7-21(18)22/h2-12H,13-17H2,1H3
InChIKeyRGBJARUQSUETLP-UHFFFAOYSA-N
XLogP3.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone (CID 1298087) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone is COc1ccc(N2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone?
The InChIKey is RGBJARUQSUETLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-20-11-9-19(10-12-20)24-13-15-25(16-14-24)23(26)17-28-22-8-4-6-18-5-2-3-7-21(18)22/h2-12H,13-17H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone has a molecular weight of 376.46 g/mol, XLogP of 3.58, 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-naphthalen-1-yloxyethanone is sourced from PubChem (CID 1298087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).