3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one

C19H20N2O2 — CID 664363

IUPAC3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one
SMILESO=C1OC(N2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C19H20N2O2/c22-19-17-9-5-4-8-16(17)18(23-19)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9,18H,10-14H2
InChIKeyRCGVBOHDRUDCFW-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.67
Rot. Bonds3

About 3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one

3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one (PubChem CID 664363) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one
PubChem CID664363
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one
SMILESO=C1OC(N2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C19H20N2O2/c22-19-17-9-5-4-8-16(17)18(23-19)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9,18H,10-14H2
InChIKeyRCGVBOHDRUDCFW-UHFFFAOYSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one (CID 664363) is 3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one is O=C1OC(N2CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one?
The InChIKey is RCGVBOHDRUDCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19-17-9-5-4-8-16(17)18(23-19)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9,18H,10-14H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one?
3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one has a molecular weight of 308.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 664363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).