5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole

C25H29N3O — CID 25068794

IUPAC5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)cccc2c1
InChIInChI=1S/C25H29N3O/c1-2-7-24-20(5-1)6-3-8-25(24)28-14-12-27(13-15-28)11-4-16-29-23-10-9-21-18-26-19-22(21)17-23/h1-3,5-10,17,26H,4,11-16,18-19H2
InChIKeyFSOQNRYVHQRTNP-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.03
Rot. Bonds6

About 5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole

5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole (PubChem CID 25068794) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole
PubChem CID25068794
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)cccc2c1
InChIInChI=1S/C25H29N3O/c1-2-7-24-20(5-1)6-3-8-25(24)28-14-12-27(13-15-28)11-4-16-29-23-10-9-21-18-26-19-22(21)17-23/h1-3,5-10,17,26H,4,11-16,18-19H2
InChIKeyFSOQNRYVHQRTNP-UHFFFAOYSA-N
XLogP4.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.03
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-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole (CID 25068794) is 5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole is c1ccc2c(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)cccc2c1.
What is the InChIKey of 5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole?
The InChIKey is FSOQNRYVHQRTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-2-7-24-20(5-1)6-3-8-25(24)28-14-12-27(13-15-28)11-4-16-29-23-10-9-21-18-26-19-22(21)17-23/h1-3,5-10,17,26H,4,11-16,18-19H2.
What are the key properties of 5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole?
5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole has a molecular weight of 387.53 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 25068794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).