2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one

C22H19NO2S2 — CID 44562588

IUPAC2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccsc4)cs3)cccc12
InChIInChI=1S/C22H19NO2S2/c24-19-12-21(23-8-2-1-3-9-23)25-22-17(19)5-4-6-18(22)20-11-16(14-27-20)15-7-10-26-13-15/h4-7,10-14H,1-3,8-9H2
InChIKeyCMZNIJIDMQOYMW-UHFFFAOYSA-N
MW393.53 g/mol
LogP6.24
Rot. Bonds3

About 2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one

2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one (PubChem CID 44562588) has the molecular formula C22H19NO2S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one
PubChem CID44562588
Molecular FormulaC22H19NO2S2
Molecular Weight393.53 g/mol
Exact Mass393.09
IUPAC Name2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccsc4)cs3)cccc12
InChIInChI=1S/C22H19NO2S2/c24-19-12-21(23-8-2-1-3-9-23)25-22-17(19)5-4-6-18(22)20-11-16(14-27-20)15-7-10-26-13-15/h4-7,10-14H,1-3,8-9H2
InChIKeyCMZNIJIDMQOYMW-UHFFFAOYSA-N
XLogP6.24
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one?
The IUPAC name of 2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one (CID 44562588) is 2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one.
What is the SMILES notation for 2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one?
The canonical SMILES for 2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccsc4)cs3)cccc12.
What is the InChIKey of 2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one?
The InChIKey is CMZNIJIDMQOYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S2/c24-19-12-21(23-8-2-1-3-9-23)25-22-17(19)5-4-6-18(22)20-11-16(14-27-20)15-7-10-26-13-15/h4-7,10-14H,1-3,8-9H2.
What are the key properties of 2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one?
2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one has a molecular weight of 393.53 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one is sourced from PubChem (CID 44562588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).