5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one

C19H23N3O2 — CID 10881914

IUPAC5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one
SMILESO=C1c2ccoc2CCC1CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O2/c23-19-15(4-5-17-16(19)7-14-24-17)6-9-21-10-12-22(13-11-21)18-3-1-2-8-20-18/h1-3,7-8,14-15H,4-6,9-13H2
InChIKeyUMUAZHPZZXSBBP-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.63
Rot. Bonds4

About 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one

5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 10881914) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID10881914
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one
SMILESO=C1c2ccoc2CCC1CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O2/c23-19-15(4-5-17-16(19)7-14-24-17)6-9-21-10-12-22(13-11-21)18-3-1-2-8-20-18/h1-3,7-8,14-15H,4-6,9-13H2
InChIKeyUMUAZHPZZXSBBP-UHFFFAOYSA-N
XLogP2.63
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one with MolForge

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Related Compounds

7-(3-(4-(2-Pyridinyl)-1-piperazinyl)propoxy)-4H-1-benzopyran-4-one
CID 147080
5-[3-(4-Pyridin-2-ylpiperazin-1-yl)propoxy]-2,3-dihydroinden-1-one
CID 164623862
1-[4-(1-Benzofuran-5-yl)pyridin-2-yl]piperazine
CID 155920137
6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 10710246
6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 10804995
7-[2-Methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]chromen-4-one
CID 44319946
(1S,4S)-2-(5-(benzofuran-5-yl)pyridin-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 46890952
1-(1-Benzofuran-3-yl)-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethanone
CID 71601992
(3E)-3-[[6-(dimethylamino)-3-pyridinyl]methylidene]chromen-4-one
CID 127051347
1-[4-[3-(4-Pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 155519671
1-[4-[4-(4-Pyridin-2-ylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 155522957
1-[4-[3-(4-Pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
CID 155561504

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one (CID 10881914) is 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one is O=C1c2ccoc2CCC1CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is UMUAZHPZZXSBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19-15(4-5-17-16(19)7-14-24-17)6-9-21-10-12-22(13-11-21)18-3-1-2-8-20-18/h1-3,7-8,14-15H,4-6,9-13H2.
What are the key properties of 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one?
5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 325.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 10881914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).