2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid

C19H20N2O3 — CID 59570449

IUPAC2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid
SMILESCN1CCN(C(C(=O)O)c2cccc3c2oc2ccccc23)CC1
InChIInChI=1S/C19H20N2O3/c1-20-9-11-21(12-10-20)17(19(22)23)15-7-4-6-14-13-5-2-3-8-16(13)24-18(14)15/h2-8,17H,9-12H2,1H3,(H,22,23)
InChIKeyWOYJYICBHJXHHA-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.96
Rot. Bonds3

About 2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid

2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid (PubChem CID 59570449) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid
PubChem CID59570449
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid
SMILESCN1CCN(C(C(=O)O)c2cccc3c2oc2ccccc23)CC1
InChIInChI=1S/C19H20N2O3/c1-20-9-11-21(12-10-20)17(19(22)23)15-7-4-6-14-13-5-2-3-8-16(13)24-18(14)15/h2-8,17H,9-12H2,1H3,(H,22,23)
InChIKeyWOYJYICBHJXHHA-UHFFFAOYSA-N
XLogP2.96
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid (CID 59570449) is 2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid is CN1CCN(C(C(=O)O)c2cccc3c2oc2ccccc23)CC1.
What is the InChIKey of 2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid?
The InChIKey is WOYJYICBHJXHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20-9-11-21(12-10-20)17(19(22)23)15-7-4-6-14-13-5-2-3-8-16(13)24-18(14)15/h2-8,17H,9-12H2,1H3,(H,22,23).
What are the key properties of 2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid?
2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid has a molecular weight of 324.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 59570449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).