8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one

C23H20N2O3 — CID 44562357

IUPAC8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccoc4)ccn3)cccc12
InChIInChI=1S/C23H20N2O3/c26-21-14-22(25-10-2-1-3-11-25)28-23-18(5-4-6-19(21)23)20-13-16(7-9-24-20)17-8-12-27-15-17/h4-9,12-15H,1-3,10-11H2
InChIKeyRAPORCIORBWPTG-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.11
Rot. Bonds3

About 8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one

8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one (PubChem CID 44562357) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one.

Molecular Properties

Compound Name8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one
PubChem CID44562357
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccoc4)ccn3)cccc12
InChIInChI=1S/C23H20N2O3/c26-21-14-22(25-10-2-1-3-11-25)28-23-18(5-4-6-19(21)23)20-13-16(7-9-24-20)17-8-12-27-15-17/h4-9,12-15H,1-3,10-11H2
InChIKeyRAPORCIORBWPTG-UHFFFAOYSA-N
XLogP5.11
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one?
The IUPAC name of 8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one (CID 44562357) is 8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one.
What is the SMILES notation for 8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one?
The canonical SMILES for 8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccoc4)ccn3)cccc12.
What is the InChIKey of 8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one?
The InChIKey is RAPORCIORBWPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-21-14-22(25-10-2-1-3-11-25)28-23-18(5-4-6-19(21)23)20-13-16(7-9-24-20)17-8-12-27-15-17/h4-9,12-15H,1-3,10-11H2.
What are the key properties of 8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one?
8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one has a molecular weight of 372.42 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(furan-3-yl)-2-pyridinyl]-2-piperidin-1-ylchromen-4-one is sourced from PubChem (CID 44562357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).