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

C23H25N3O2 — CID 16666859

IUPAC7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c21
InChIInChI=1S/C23H25N3O2/c27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26/h4-8,13-14,25H,1-3,9-12,15H2,(H,24,27)
InChIKeyPNTVOXMDTWOXGG-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.94
Rot. Bonds5

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

7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one (PubChem CID 16666859) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
PubChem CID16666859
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c21
InChIInChI=1S/C23H25N3O2/c27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26/h4-8,13-14,25H,1-3,9-12,15H2,(H,24,27)
InChIKeyPNTVOXMDTWOXGG-UHFFFAOYSA-N
XLogP3.94
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one (CID 16666859) is 7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c21.
What is the InChIKey of 7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is PNTVOXMDTWOXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26/h4-8,13-14,25H,1-3,9-12,15H2,(H,24,27).
What are the key properties of 7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one?
7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 375.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 16666859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).