5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole

C25H28FN3O — CID 10222964

IUPAC5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole
SMILESCC(CN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)Oc1cccc2[nH]ccc12
InChIInChI=1S/C25H28FN3O/c1-17(30-25-4-2-3-23-21(25)7-10-27-23)16-29-11-8-18(9-12-29)13-19-15-28-24-6-5-20(26)14-22(19)24/h2-7,10,14-15,17-18,27-28H,8-9,11-13,16H2,1H3
InChIKeyQTFMCIZMLHUKPQ-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.51
Rot. Bonds6

About 5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole

5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole (PubChem CID 10222964) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is 5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole
PubChem CID10222964
Molecular FormulaC25H28FN3O
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole
SMILESCC(CN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)Oc1cccc2[nH]ccc12
InChIInChI=1S/C25H28FN3O/c1-17(30-25-4-2-3-23-21(25)7-10-27-23)16-29-11-8-18(9-12-29)13-19-15-28-24-6-5-20(26)14-22(19)24/h2-7,10,14-15,17-18,27-28H,8-9,11-13,16H2,1H3
InChIKeyQTFMCIZMLHUKPQ-UHFFFAOYSA-N
XLogP5.51
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268311
1-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-methylbenzimidazol-2-one
CID 19898907
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol
CID 22372793
1-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]benzo[cd]indol-2-one
CID 15646709
3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-2-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 57261253
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
bis[1-(4-benzylpiperidin-1-yl)-3-(1H-indol-4-yloxy)propan-2-yl] oxalate
CID 57287339
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268352
(2S)-1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57238471
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
CID 58748813
CID 58748813

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole (CID 10222964) is 5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole is CC(CN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)Oc1cccc2[nH]ccc12.
What is the InChIKey of 5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole?
The InChIKey is QTFMCIZMLHUKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O/c1-17(30-25-4-2-3-23-21(25)7-10-27-23)16-29-11-8-18(9-12-29)13-19-15-28-24-6-5-20(26)14-22(19)24/h2-7,10,14-15,17-18,27-28H,8-9,11-13,16H2,1H3.
What are the key properties of 5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole?
5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole has a molecular weight of 405.52 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[1-[2-(1H-indol-4-yloxy)propyl]piperidin-4-yl]methyl]-1H-indole is sourced from PubChem (CID 10222964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).