2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone

C22H26N2O6 — CID 3030073

IUPAC2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCN(C(=O)COc3cccc(OC)c3)CC2)c1
InChIInChI=1S/C22H26N2O6/c1-27-17-5-3-7-19(13-17)29-15-21(25)23-9-11-24(12-10-23)22(26)16-30-20-8-4-6-18(14-20)28-2/h3-8,13-14H,9-12,15-16H2,1-2H3
InChIKeyWGWYPXRRBQRVFL-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.83
Rot. Bonds8

About 2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone

2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone (PubChem CID 3030073) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
PubChem CID3030073
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCN(C(=O)COc3cccc(OC)c3)CC2)c1
InChIInChI=1S/C22H26N2O6/c1-27-17-5-3-7-19(13-17)29-15-21(25)23-9-11-24(12-10-23)22(26)16-30-20-8-4-6-18(14-20)28-2/h3-8,13-14H,9-12,15-16H2,1-2H3
InChIKeyWGWYPXRRBQRVFL-UHFFFAOYSA-N
XLogP1.83
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone (CID 3030073) is 2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone is COc1cccc(OCC(=O)N2CCN(C(=O)COc3cccc(OC)c3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
The InChIKey is WGWYPXRRBQRVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-27-17-5-3-7-19(13-17)29-15-21(25)23-9-11-24(12-10-23)22(26)16-30-20-8-4-6-18(14-20)28-2/h3-8,13-14H,9-12,15-16H2,1-2H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone has a molecular weight of 414.46 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 3030073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).