5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one

C24H26N2O4 — CID 56970632

IUPAC5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(CCN3CCN(CCc4ccc5c(c4)COC5=O)CC3)ccc21
InChIInChI=1S/C24H26N2O4/c27-23-21-3-1-17(13-19(21)15-29-23)5-7-25-9-11-26(12-10-25)8-6-18-2-4-22-20(14-18)16-30-24(22)28/h1-4,13-14H,5-12,15-16H2
InChIKeyPYUXNNYRCHVGKZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.43
Rot. Bonds6

About 5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one

5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one (PubChem CID 56970632) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
PubChem CID56970632
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(CCN3CCN(CCc4ccc5c(c4)COC5=O)CC3)ccc21
InChIInChI=1S/C24H26N2O4/c27-23-21-3-1-17(13-19(21)15-29-23)5-7-25-9-11-26(12-10-25)8-6-18-2-4-22-20(14-18)16-30-24(22)28/h1-4,13-14H,5-12,15-16H2
InChIKeyPYUXNNYRCHVGKZ-UHFFFAOYSA-N
XLogP2.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one (CID 56970632) is 5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one is O=C1OCc2cc(CCN3CCN(CCc4ccc5c(c4)COC5=O)CC3)ccc21.
What is the InChIKey of 5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one?
The InChIKey is PYUXNNYRCHVGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c27-23-21-3-1-17(13-19(21)15-29-23)5-7-25-9-11-26(12-10-25)8-6-18-2-4-22-20(14-18)16-30-24(22)28/h1-4,13-14H,5-12,15-16H2.
What are the key properties of 5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one?
5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one has a molecular weight of 406.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 56970632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).