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

C23H20N2O2S — CID 44562396

IUPAC2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cc(-c4cccs4)ccn3)cccc12
InChIInChI=1S/C23H20N2O2S/c26-20-15-22(25-11-2-1-3-12-25)27-23-17(6-4-7-18(20)23)19-14-16(9-10-24-19)21-8-5-13-28-21/h4-10,13-15H,1-3,11-12H2
InChIKeyNBQWDIUBMOIUFC-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.57
Rot. Bonds3

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

2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one (PubChem CID 44562396) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one
PubChem CID44562396
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cc(-c4cccs4)ccn3)cccc12
InChIInChI=1S/C23H20N2O2S/c26-20-15-22(25-11-2-1-3-12-25)27-23-17(6-4-7-18(20)23)19-14-16(9-10-24-19)21-8-5-13-28-21/h4-10,13-15H,1-3,11-12H2
InChIKeyNBQWDIUBMOIUFC-UHFFFAOYSA-N
XLogP5.57
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.57
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-2-yl-2-pyridinyl)chromen-4-one?
The IUPAC name of 2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one (CID 44562396) is 2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one.
What is the SMILES notation for 2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one?
The canonical SMILES for 2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3cc(-c4cccs4)ccn3)cccc12.
What is the InChIKey of 2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one?
The InChIKey is NBQWDIUBMOIUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-20-15-22(25-11-2-1-3-12-25)27-23-17(6-4-7-18(20)23)19-14-16(9-10-24-19)21-8-5-13-28-21/h4-10,13-15H,1-3,11-12H2.
What are the key properties of 2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one?
2-piperidin-1-yl-8-(4-thiophen-2-yl-2-pyridinyl)chromen-4-one has a molecular weight of 388.49 g/mol, XLogP of 5.57, 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-2-yl-2-pyridinyl)chromen-4-one is sourced from PubChem (CID 44562396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).