1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine

C18H19N3O — CID 24736268

IUPAC1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine
SMILESc1cncc(-c2ccc3oc(CN4CCNCC4)cc3c2)c1
InChIInChI=1S/C18H19N3O/c1-2-15(12-20-5-1)14-3-4-18-16(10-14)11-17(22-18)13-21-8-6-19-7-9-21/h1-5,10-12,19H,6-9,13H2
InChIKeyGPUZXRIWUDBYMW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.90
Rot. Bonds3

About 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine

1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine (PubChem CID 24736268) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine
PubChem CID24736268
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine
SMILESc1cncc(-c2ccc3oc(CN4CCNCC4)cc3c2)c1
InChIInChI=1S/C18H19N3O/c1-2-15(12-20-5-1)14-3-4-18-16(10-14)11-17(22-18)13-21-8-6-19-7-9-21/h1-5,10-12,19H,6-9,13H2
InChIKeyGPUZXRIWUDBYMW-UHFFFAOYSA-N
XLogP2.90
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine?
The IUPAC name of 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine (CID 24736268) is 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine is c1cncc(-c2ccc3oc(CN4CCNCC4)cc3c2)c1.
What is the InChIKey of 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine?
The InChIKey is GPUZXRIWUDBYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-15(12-20-5-1)14-3-4-18-16(10-14)11-17(22-18)13-21-8-6-19-7-9-21/h1-5,10-12,19H,6-9,13H2.
What are the key properties of 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine?
1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine has a molecular weight of 293.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine is sourced from PubChem (CID 24736268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).