1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole

C25H27N3S — CID 5329365

IUPAC1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole
SMILESc1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCCN1CCCCC1
InChIInChI=1S/C25H27N3S/c1-4-10-27(11-5-1)12-6-13-28-18-24(23-7-2-3-8-25(23)28)22-15-21(16-26-17-22)20-9-14-29-19-20/h2-3,7-9,14-19H,1,4-6,10-13H2
InChIKeyARVPXHGQLZVIJF-UHFFFAOYSA-N
MW401.58 g/mol
LogP6.31
Rot. Bonds6

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

1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole (PubChem CID 5329365) has the molecular formula C25H27N3S and a molecular weight of 401.58 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole
PubChem CID5329365
Molecular FormulaC25H27N3S
Molecular Weight401.58 g/mol
Exact Mass401.19
IUPAC Name1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole
SMILESc1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCCN1CCCCC1
InChIInChI=1S/C25H27N3S/c1-4-10-27(11-5-1)12-6-13-28-18-24(23-7-2-3-8-25(23)28)22-15-21(16-26-17-22)20-9-14-29-19-20/h2-3,7-9,14-19H,1,4-6,10-13H2
InChIKeyARVPXHGQLZVIJF-UHFFFAOYSA-N
XLogP6.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.58
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Thienyl)quinoline
CID 10242258
N'-[1-[2-(dimethylamino)ethyl]indol-6-yl]thiophene-2-carboximidamide
CID 11955738
4-(4-Methyl-1-piperazinyl)-2-(2-thienyl)quinoline
CID 453076
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3d
CID 5329364
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine
CID 10198700
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole?
The IUPAC name of 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole (CID 5329365) is 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole.
What is the SMILES notation for 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole?
The canonical SMILES for 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole is c1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCCN1CCCCC1.
What is the InChIKey of 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole?
The InChIKey is ARVPXHGQLZVIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3S/c1-4-10-27(11-5-1)12-6-13-28-18-24(23-7-2-3-8-25(23)28)22-15-21(16-26-17-22)20-9-14-29-19-20/h2-3,7-9,14-19H,1,4-6,10-13H2.
What are the key properties of 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole?
1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole has a molecular weight of 401.58 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-yl-3-pyridinyl)indole is sourced from PubChem (CID 5329365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).