3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole

C25H31FN2OS — CID 118721194

IUPAC3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole
SMILESCOC(C)c1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIInChI=1S/C25H31FN2OS/c1-18(29-2)25-24(22-6-3-4-7-23(22)27-25)19-12-15-28(16-13-19)14-5-17-30-21-10-8-20(26)9-11-21/h3-4,6-11,18-19,27H,5,12-17H2,1-2H3
InChIKeyKYLUBFIZIDMYKO-UHFFFAOYSA-N
MW426.60 g/mol
LogP6.38
Rot. Bonds8

About 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole

3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole (PubChem CID 118721194) has the molecular formula C25H31FN2OS and a molecular weight of 426.60 g/mol. Its IUPAC name is 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole.

Molecular Properties

Compound Name3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole
PubChem CID118721194
Molecular FormulaC25H31FN2OS
Molecular Weight426.60 g/mol
Exact Mass426.21
IUPAC Name3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole
SMILESCOC(C)c1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIInChI=1S/C25H31FN2OS/c1-18(29-2)25-24(22-6-3-4-7-23(22)27-25)19-12-15-28(16-13-19)14-5-17-30-21-10-8-20(26)9-11-21/h3-4,6-11,18-19,27H,5,12-17H2,1-2H3
InChIKeyKYLUBFIZIDMYKO-UHFFFAOYSA-N
XLogP6.38
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)-1H-indole
CID 9981761
2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperidin-1-yl)methyl)-1H-indole
CID 10994187
2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-1H-indole
CID 10477510
3-morpholin-2-yl-2-phenyl-1H-indole
CID 10588666
4-[3-[4-(2-ethyl-6-fluoro-1H-indol-3-yl)piperidin-1-yl]propylsulfanyl]phenol
CID 118721186
2-ethyl-6-fluoro-3-[1-[3-(4-methoxyphenyl)sulfanylpropyl]piperidin-4-yl]-1H-indole
CID 118721187
[6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
CID 118721190
6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole
CID 118721191
ethyl 6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indole-2-carboxylate
CID 118721192
[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
CID 118721193
2-ethyl-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-6-methoxy-1H-indole
CID 118721197
6-fluoro-N,N,3-trimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
CID 11956635

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole?
The IUPAC name of 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole (CID 118721194) is 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole.
What is the SMILES notation for 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole?
The canonical SMILES for 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole is COC(C)c1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole?
The InChIKey is KYLUBFIZIDMYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2OS/c1-18(29-2)25-24(22-6-3-4-7-23(22)27-25)19-12-15-28(16-13-19)14-5-17-30-21-10-8-20(26)9-11-21/h3-4,6-11,18-19,27H,5,12-17H2,1-2H3.
What are the key properties of 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole?
3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole has a molecular weight of 426.60 g/mol, XLogP of 6.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(1-methoxyethyl)-1H-indole is sourced from PubChem (CID 118721194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).