1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone

C24H25N3O2 — CID 5330545

IUPAC1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C24H25N3O2/c28-24(22-15-17-6-2-3-7-20(17)25-22)23-16-18-14-19(8-9-21(18)26-23)29-13-12-27-10-4-1-5-11-27/h2-3,6-9,14-16,25-26H,1,4-5,10-13H2
InChIKeyIVPTZHGWATUPFL-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.74
Rot. Bonds6

About 1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone

1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone (PubChem CID 5330545) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone
PubChem CID5330545
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C24H25N3O2/c28-24(22-15-17-6-2-3-7-20(17)25-22)23-16-18-14-19(8-9-21(18)26-23)29-13-12-27-10-4-1-5-11-27/h2-3,6-9,14-16,25-26H,1,4-5,10-13H2
InChIKeyIVPTZHGWATUPFL-UHFFFAOYSA-N
XLogP4.74
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone (CID 5330545) is 1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone is O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1.
What is the InChIKey of 1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone?
The InChIKey is IVPTZHGWATUPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(22-15-17-6-2-3-7-20(17)25-22)23-16-18-14-19(8-9-21(18)26-23)29-13-12-27-10-4-1-5-11-27/h2-3,6-9,14-16,25-26H,1,4-5,10-13H2.
What are the key properties of 1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone?
1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone has a molecular weight of 387.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone is sourced from PubChem (CID 5330545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).