1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol

C27H35N3O3S — CID 141141048

IUPAC1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol
SMILESO=S(=O)(CCCN1CCC(O)CC1)N1CCC(c2c[nH]c3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C27H35N3O3S/c31-24-11-14-29(15-12-24)13-4-18-34(32,33)30-16-9-22(10-17-30)26-20-28-27-8-7-23(19-25(26)27)21-5-2-1-3-6-21/h1-3,5-8,19-20,22,24,28,31H,4,9-18H2
InChIKeyCHIRVBVECFBCKK-UHFFFAOYSA-N
MW481.66 g/mol
LogP4.19
Rot. Bonds7

About 1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol

1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol (PubChem CID 141141048) has the molecular formula C27H35N3O3S and a molecular weight of 481.66 g/mol. Its IUPAC name is 1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol
PubChem CID141141048
Molecular FormulaC27H35N3O3S
Molecular Weight481.66 g/mol
Exact Mass481.24
IUPAC Name1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol
SMILESO=S(=O)(CCCN1CCC(O)CC1)N1CCC(c2c[nH]c3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C27H35N3O3S/c31-24-11-14-29(15-12-24)13-4-18-34(32,33)30-16-9-22(10-17-30)26-20-28-27-8-7-23(19-25(26)27)21-5-2-1-3-6-21/h1-3,5-8,19-20,22,24,28,31H,4,9-18H2
InChIKeyCHIRVBVECFBCKK-UHFFFAOYSA-N
XLogP4.19
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol?
The IUPAC name of 1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol (CID 141141048) is 1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol is O=S(=O)(CCCN1CCC(O)CC1)N1CCC(c2c[nH]c3ccc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol?
The InChIKey is CHIRVBVECFBCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3S/c31-24-11-14-29(15-12-24)13-4-18-34(32,33)30-16-9-22(10-17-30)26-20-28-27-8-7-23(19-25(26)27)21-5-2-1-3-6-21/h1-3,5-8,19-20,22,24,28,31H,4,9-18H2.
What are the key properties of 1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol?
1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol has a molecular weight of 481.66 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol is sourced from PubChem (CID 141141048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).