7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one

C24H27N3O2 — CID 16666860

IUPAC7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c21
InChIInChI=1S/C24H27N3O2/c28-24-23-17(16-25-24)6-4-7-20(23)22-15-18-14-19(8-9-21(18)26-22)29-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,26H,1-3,5,10-13,16H2,(H,25,28)
InChIKeyMIKXASQPSQODNL-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.33
Rot. Bonds6

About 7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one

7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one (PubChem CID 16666860) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
PubChem CID16666860
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c21
InChIInChI=1S/C24H27N3O2/c28-24-23-17(16-25-24)6-4-7-20(23)22-15-18-14-19(8-9-21(18)26-22)29-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,26H,1-3,5,10-13,16H2,(H,25,28)
InChIKeyMIKXASQPSQODNL-UHFFFAOYSA-N
XLogP4.33
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one (CID 16666860) is 7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c21.
What is the InChIKey of 7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is MIKXASQPSQODNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-24-23-17(16-25-24)6-4-7-20(23)22-15-18-14-19(8-9-21(18)26-22)29-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,26H,1-3,5,10-13,16H2,(H,25,28).
What are the key properties of 7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one?
7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 389.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 16666860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).