3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole

C25H26F3N3O — CID 67762256

IUPAC3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc2c(C3CCN(CCCOc4c[nH]c5ccccc45)CC3)c[nH]c2c1
InChIInChI=1S/C25H26F3N3O/c26-25(27,28)18-6-7-19-21(15-29-23(19)14-18)17-8-11-31(12-9-17)10-3-13-32-24-16-30-22-5-2-1-4-20(22)24/h1-2,4-7,14-17,29-30H,3,8-13H2
InChIKeyUPDLUNYUAOUQMK-UHFFFAOYSA-N
MW441.50 g/mol
LogP6.32
Rot. Bonds6

About 3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole

3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole (PubChem CID 67762256) has the molecular formula C25H26F3N3O and a molecular weight of 441.50 g/mol. Its IUPAC name is 3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole
PubChem CID67762256
Molecular FormulaC25H26F3N3O
Molecular Weight441.50 g/mol
Exact Mass441.20
IUPAC Name3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc2c(C3CCN(CCCOc4c[nH]c5ccccc45)CC3)c[nH]c2c1
InChIInChI=1S/C25H26F3N3O/c26-25(27,28)18-6-7-19-21(15-29-23(19)14-18)17-8-11-31(12-9-17)10-3-13-32-24-16-30-22-5-2-1-4-20(22)24/h1-2,4-7,14-17,29-30H,3,8-13H2
InChIKeyUPDLUNYUAOUQMK-UHFFFAOYSA-N
XLogP6.32
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole?
The IUPAC name of 3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole (CID 67762256) is 3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole?
The canonical SMILES for 3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole is FC(F)(F)c1ccc2c(C3CCN(CCCOc4c[nH]c5ccccc45)CC3)c[nH]c2c1.
What is the InChIKey of 3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole?
The InChIKey is UPDLUNYUAOUQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O/c26-25(27,28)18-6-7-19-21(15-29-23(19)14-18)17-8-11-31(12-9-17)10-3-13-32-24-16-30-22-5-2-1-4-20(22)24/h1-2,4-7,14-17,29-30H,3,8-13H2.
What are the key properties of 3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole?
3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole has a molecular weight of 441.50 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 67762256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).