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

C20H24N2O3 — CID 712556

IUPAC1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1ccccc1CN1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c1-24-19-10-6-5-7-17(19)15-21-11-13-22(14-12-21)20(23)16-25-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3
InChIKeyWVIYKERIIPARBY-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.42
Rot. Bonds6

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

1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 712556) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID712556
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1ccccc1CN1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c1-24-19-10-6-5-7-17(19)15-21-11-13-22(14-12-21)20(23)16-25-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3
InChIKeyWVIYKERIIPARBY-UHFFFAOYSA-N
XLogP2.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone (CID 712556) is 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone is COc1ccccc1CN1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is WVIYKERIIPARBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-19-10-6-5-7-17(19)15-21-11-13-22(14-12-21)20(23)16-25-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3.
What are the key properties of 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 340.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 712556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).