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

C21H23FN2O3 — CID 16737783

IUPAC5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one
SMILESO=C1c2ccoc2CCC1CCN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2O3/c22-17-4-1-16(2-5-17)21(26)24-12-10-23(11-13-24)9-7-15-3-6-19-18(20(15)25)8-14-27-19/h1-2,4-5,8,14-15H,3,6-7,9-13H2
InChIKeyHLANNHHKCDMRJS-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.01
Rot. Bonds4

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

5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 16737783) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID16737783
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one
SMILESO=C1c2ccoc2CCC1CCN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2O3/c22-17-4-1-16(2-5-17)21(26)24-12-10-23(11-13-24)9-7-15-3-6-19-18(20(15)25)8-14-27-19/h1-2,4-5,8,14-15H,3,6-7,9-13H2
InChIKeyHLANNHHKCDMRJS-UHFFFAOYSA-N
XLogP3.01
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one (CID 16737783) is 5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one is O=C1c2ccoc2CCC1CCN1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is HLANNHHKCDMRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-17-4-1-16(2-5-17)21(26)24-12-10-23(11-13-24)9-7-15-3-6-19-18(20(15)25)8-14-27-19/h1-2,4-5,8,14-15H,3,6-7,9-13H2.
What are the key properties of 5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one?
5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 370.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 16737783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).