8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one

C26H22N2O2S — CID 44562590

IUPAC8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ccc(-c4ccc5[nH]ccc5c4)s3)cccc12
InChIInChI=1S/C26H22N2O2S/c29-22-16-25(28-13-2-1-3-14-28)30-26-19(22)5-4-6-20(26)24-10-9-23(31-24)18-7-8-21-17(15-18)11-12-27-21/h4-12,15-16,27H,1-3,13-14H2
InChIKeyUZICXTIRQSWRIG-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.66
Rot. Bonds3

About 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one

8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one (PubChem CID 44562590) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one.

Molecular Properties

Compound Name8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one
PubChem CID44562590
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC Name8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ccc(-c4ccc5[nH]ccc5c4)s3)cccc12
InChIInChI=1S/C26H22N2O2S/c29-22-16-25(28-13-2-1-3-14-28)30-26-19(22)5-4-6-20(26)24-10-9-23(31-24)18-7-8-21-17(15-18)11-12-27-21/h4-12,15-16,27H,1-3,13-14H2
InChIKeyUZICXTIRQSWRIG-UHFFFAOYSA-N
XLogP6.66
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one?
The IUPAC name of 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one (CID 44562590) is 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one.
What is the SMILES notation for 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one?
The canonical SMILES for 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3ccc(-c4ccc5[nH]ccc5c4)s3)cccc12.
What is the InChIKey of 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one?
The InChIKey is UZICXTIRQSWRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c29-22-16-25(28-13-2-1-3-14-28)30-26-19(22)5-4-6-20(26)24-10-9-23(31-24)18-7-8-21-17(15-18)11-12-27-21/h4-12,15-16,27H,1-3,13-14H2.
What are the key properties of 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one?
8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one has a molecular weight of 426.54 g/mol, XLogP of 6.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(1H-indol-5-yl)thiophen-2-yl]-2-piperidin-1-ylchromen-4-one is sourced from PubChem (CID 44562590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).