5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole

C26H26F2N2S — CID 155549761

IUPAC5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole
SMILESFc1ccc(C2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccsc2)c1
InChIInChI=1S/C26H26F2N2S/c27-21-3-5-23(24(14-21)20-9-13-31-17-20)18-7-11-30(12-8-18)10-1-2-19-16-29-26-6-4-22(28)15-25(19)26/h3-6,9,13-18,29H,1-2,7-8,10-12H2
InChIKeyBZDWIVVUQXSDQL-UHFFFAOYSA-N
MW436.57 g/mol
LogP6.99
Rot. Bonds6

About 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole

5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole (PubChem CID 155549761) has the molecular formula C26H26F2N2S and a molecular weight of 436.57 g/mol. Its IUPAC name is 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole
PubChem CID155549761
Molecular FormulaC26H26F2N2S
Molecular Weight436.57 g/mol
Exact Mass436.18
IUPAC Name5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole
SMILESFc1ccc(C2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccsc2)c1
InChIInChI=1S/C26H26F2N2S/c27-21-3-5-23(24(14-21)20-9-13-31-17-20)18-7-11-30(12-8-18)10-1-2-19-16-29-26-6-4-22(28)15-25(19)26/h3-6,9,13-18,29H,1-2,7-8,10-12H2
InChIKeyBZDWIVVUQXSDQL-UHFFFAOYSA-N
XLogP6.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.57
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole (CID 155549761) is 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole is Fc1ccc(C2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccsc2)c1.
What is the InChIKey of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole?
The InChIKey is BZDWIVVUQXSDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2S/c27-21-3-5-23(24(14-21)20-9-13-31-17-20)18-7-11-30(12-8-18)10-1-2-19-16-29-26-6-4-22(28)15-25(19)26/h3-6,9,13-18,29H,1-2,7-8,10-12H2.
What are the key properties of 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole?
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole has a molecular weight of 436.57 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 155549761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).