3-piperidin-4-yl-5-thiophen-3-yl-1H-indole

C17H18N2S — CID 141123206

IUPAC3-piperidin-4-yl-5-thiophen-3-yl-1H-indole
SMILESc1cc(-c2ccc3[nH]cc(C4CCNCC4)c3c2)cs1
InChIInChI=1S/C17H18N2S/c1-2-17-15(9-13(1)14-5-8-20-11-14)16(10-19-17)12-3-6-18-7-4-12/h1-2,5,8-12,18-19H,3-4,6-7H2
InChIKeyGFSQDWQRQIUZDO-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.36
Rot. Bonds2

About 3-piperidin-4-yl-5-thiophen-3-yl-1H-indole

3-piperidin-4-yl-5-thiophen-3-yl-1H-indole (PubChem CID 141123206) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-thiophen-3-yl-1H-indole.

Molecular Properties

Compound Name3-piperidin-4-yl-5-thiophen-3-yl-1H-indole
PubChem CID141123206
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name3-piperidin-4-yl-5-thiophen-3-yl-1H-indole
SMILESc1cc(-c2ccc3[nH]cc(C4CCNCC4)c3c2)cs1
InChIInChI=1S/C17H18N2S/c1-2-17-15(9-13(1)14-5-8-20-11-14)16(10-19-17)12-3-6-18-7-4-12/h1-2,5,8-12,18-19H,3-4,6-7H2
InChIKeyGFSQDWQRQIUZDO-UHFFFAOYSA-N
XLogP4.36
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-thiophen-3-yl-1H-indole?
The IUPAC name of 3-piperidin-4-yl-5-thiophen-3-yl-1H-indole (CID 141123206) is 3-piperidin-4-yl-5-thiophen-3-yl-1H-indole.
What is the SMILES notation for 3-piperidin-4-yl-5-thiophen-3-yl-1H-indole?
The canonical SMILES for 3-piperidin-4-yl-5-thiophen-3-yl-1H-indole is c1cc(-c2ccc3[nH]cc(C4CCNCC4)c3c2)cs1.
What is the InChIKey of 3-piperidin-4-yl-5-thiophen-3-yl-1H-indole?
The InChIKey is GFSQDWQRQIUZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-2-17-15(9-13(1)14-5-8-20-11-14)16(10-19-17)12-3-6-18-7-4-12/h1-2,5,8-12,18-19H,3-4,6-7H2.
What are the key properties of 3-piperidin-4-yl-5-thiophen-3-yl-1H-indole?
3-piperidin-4-yl-5-thiophen-3-yl-1H-indole has a molecular weight of 282.41 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-thiophen-3-yl-1H-indole is sourced from PubChem (CID 141123206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).