5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole

C25H28FN3O — CID 25068797

IUPAC5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole
SMILESFc1ccc2cccc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1
InChIInChI=1S/C25H28FN3O/c26-22-7-5-19-3-1-4-25(24(19)16-22)29-12-10-28(11-13-29)9-2-14-30-23-8-6-20-17-27-18-21(20)15-23/h1,3-8,15-16,27H,2,9-14,17-18H2
InChIKeyJVMBIOQCKALKPB-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.17
Rot. Bonds6

About 5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole

5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole (PubChem CID 25068797) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is 5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole
PubChem CID25068797
Molecular FormulaC25H28FN3O
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole
SMILESFc1ccc2cccc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1
InChIInChI=1S/C25H28FN3O/c26-22-7-5-19-3-1-4-25(24(19)16-22)29-12-10-28(11-13-29)9-2-14-30-23-8-6-20-17-27-18-21(20)15-23/h1,3-8,15-16,27H,2,9-14,17-18H2
InChIKeyJVMBIOQCKALKPB-UHFFFAOYSA-N
XLogP4.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole (CID 25068797) is 5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole is Fc1ccc2cccc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1.
What is the InChIKey of 5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole?
The InChIKey is JVMBIOQCKALKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O/c26-22-7-5-19-3-1-4-25(24(19)16-22)29-12-10-28(11-13-29)9-2-14-30-23-8-6-20-17-27-18-21(20)15-23/h1,3-8,15-16,27H,2,9-14,17-18H2.
What are the key properties of 5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole?
5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole has a molecular weight of 405.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 25068797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).