1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole

C24H25N3S — CID 5329363

IUPAC1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole
SMILESc1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCN1CCCCC1
InChIInChI=1S/C24H25N3S/c1-4-9-26(10-5-1)11-12-27-17-23(22-6-2-3-7-24(22)27)21-14-20(15-25-16-21)19-8-13-28-18-19/h2-3,6-8,13-18H,1,4-5,9-12H2
InChIKeyJQGASLBEEIHLKK-UHFFFAOYSA-N
MW387.55 g/mol
LogP5.92
Rot. Bonds5

About 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole

1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole (PubChem CID 5329363) has the molecular formula C24H25N3S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole
PubChem CID5329363
Molecular FormulaC24H25N3S
Molecular Weight387.55 g/mol
Exact Mass387.18
IUPAC Name1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole
SMILESc1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCN1CCCCC1
InChIInChI=1S/C24H25N3S/c1-4-9-26(10-5-1)11-12-27-17-23(22-6-2-3-7-24(22)27)21-14-20(15-25-16-21)19-8-13-28-18-19/h2-3,6-8,13-18H,1,4-5,9-12H2
InChIKeyJQGASLBEEIHLKK-UHFFFAOYSA-N
XLogP5.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole (CID 5329363) is 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole is c1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCN1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole?
The InChIKey is JQGASLBEEIHLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3S/c1-4-9-26(10-5-1)11-12-27-17-23(22-6-2-3-7-24(22)27)21-14-20(15-25-16-21)19-8-13-28-18-19/h2-3,6-8,13-18H,1,4-5,9-12H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole?
1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole has a molecular weight of 387.55 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole is sourced from PubChem (CID 5329363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).