3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one

C17H22N2O3 — CID 56680191

IUPAC3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one
SMILESCN1CCN(CCOC2=C(c3ccccc3)C(=O)OC2)CC1
InChIInChI=1S/C17H22N2O3/c1-18-7-9-19(10-8-18)11-12-21-15-13-22-17(20)16(15)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyWKZRGIMKHKFMNF-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.22
Rot. Bonds5

About 3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one

3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one (PubChem CID 56680191) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one
PubChem CID56680191
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one
SMILESCN1CCN(CCOC2=C(c3ccccc3)C(=O)OC2)CC1
InChIInChI=1S/C17H22N2O3/c1-18-7-9-19(10-8-18)11-12-21-15-13-22-17(20)16(15)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyWKZRGIMKHKFMNF-UHFFFAOYSA-N
XLogP1.22
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one (CID 56680191) is 3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one is CN1CCN(CCOC2=C(c3ccccc3)C(=O)OC2)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one?
The InChIKey is WKZRGIMKHKFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-18-7-9-19(10-8-18)11-12-21-15-13-22-17(20)16(15)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one?
3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one has a molecular weight of 302.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 56680191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).