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

C24H24FN3O2 — CID 11640048

IUPAC(5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C24H24FN3O2/c25-18-4-6-20-16(12-18)14-22(26-20)24(29)23-15-17-13-19(5-7-21(17)27-23)30-11-10-28-8-2-1-3-9-28/h4-7,12-15,26-27H,1-3,8-11H2
InChIKeyBRDQVEHZQIWFSM-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.88
Rot. Bonds6

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

(5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone (PubChem CID 11640048) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone
PubChem CID11640048
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name(5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C24H24FN3O2/c25-18-4-6-20-16(12-18)14-22(26-20)24(29)23-15-17-13-19(5-7-21(17)27-23)30-11-10-28-8-2-1-3-9-28/h4-7,12-15,26-27H,1-3,8-11H2
InChIKeyBRDQVEHZQIWFSM-UHFFFAOYSA-N
XLogP4.88
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone (CID 11640048) is (5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone is O=C(c1cc2cc(F)ccc2[nH]1)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone?
The InChIKey is BRDQVEHZQIWFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-18-4-6-20-16(12-18)14-22(26-20)24(29)23-15-17-13-19(5-7-21(17)27-23)30-11-10-28-8-2-1-3-9-28/h4-7,12-15,26-27H,1-3,8-11H2.
What are the key properties of (5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone?
(5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone has a molecular weight of 405.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]methanone is sourced from PubChem (CID 11640048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).