3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole

C28H29FN2O3S — CID 141141054

IUPAC3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole
SMILESO=S(=O)(CCCOc1ccc(F)cc1)N1CCC(c2c[nH]c3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C28H29FN2O3S/c29-24-8-10-25(11-9-24)34-17-4-18-35(32,33)31-15-13-22(14-16-31)27-20-30-28-12-7-23(19-26(27)28)21-5-2-1-3-6-21/h1-3,5-12,19-20,22,30H,4,13-18H2
InChIKeyOJSRVRJOVDALQJ-UHFFFAOYSA-N
MW492.62 g/mol
LogP5.95
Rot. Bonds8

About 3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole

3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole (PubChem CID 141141054) has the molecular formula C28H29FN2O3S and a molecular weight of 492.62 g/mol. Its IUPAC name is 3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole.

Molecular Properties

Compound Name3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole
PubChem CID141141054
Molecular FormulaC28H29FN2O3S
Molecular Weight492.62 g/mol
Exact Mass492.19
IUPAC Name3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole
SMILESO=S(=O)(CCCOc1ccc(F)cc1)N1CCC(c2c[nH]c3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C28H29FN2O3S/c29-24-8-10-25(11-9-24)34-17-4-18-35(32,33)31-15-13-22(14-16-31)27-20-30-28-12-7-23(19-26(27)28)21-5-2-1-3-6-21/h1-3,5-12,19-20,22,30H,4,13-18H2
InChIKeyOJSRVRJOVDALQJ-UHFFFAOYSA-N
XLogP5.95
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole?
The IUPAC name of 3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole (CID 141141054) is 3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole.
What is the SMILES notation for 3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole?
The canonical SMILES for 3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole is O=S(=O)(CCCOc1ccc(F)cc1)N1CCC(c2c[nH]c3ccc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole?
The InChIKey is OJSRVRJOVDALQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O3S/c29-24-8-10-25(11-9-24)34-17-4-18-35(32,33)31-15-13-22(14-16-31)27-20-30-28-12-7-23(19-26(27)28)21-5-2-1-3-6-21/h1-3,5-12,19-20,22,30H,4,13-18H2.
What are the key properties of 3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole?
3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole has a molecular weight of 492.62 g/mol, XLogP of 5.95, 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-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole is sourced from PubChem (CID 141141054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).