5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one

C28H26N2O5 — CID 124878318

About 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one

5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one (PubChem CID 124878318) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one.

Molecular Properties

• Compound Name: 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one
• PubChem CID: 124878318
• Molecular Formula: C28H26N2O5
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.18
• IUPAC Name: 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one
• SMILES: O=C(C[C@H](c1cccnc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCCCC1
• InChI: InChI=1S/C28H26N2O5/c31-21-15-22(32)27-23(33)16-24(18-8-3-1-4-9-18)35-28(27)26(21)20(19-10-7-11-29-17-19)14-25(34)30-12-5-2-6-13-30/h1,3-4,7-11,15-17,20,31-32H,2,5-6,12-14H2/t20-/m1/s1
• InChIKey: KOCVIUIJJJYIAH-HXUWFJFHSA-N
• XLogP: 4.80
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one?

The IUPAC name of 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one (CID 124878318) is 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one.

What is the SMILES notation for 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one?

The canonical SMILES for 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one is O=C(C[C@H](c1cccnc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCCCC1.

What is the InChIKey of 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one?

The InChIKey is KOCVIUIJJJYIAH-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H26N2O5/c31-21-15-22(32)27-23(33)16-24(18-8-3-1-4-9-18)35-28(27)26(21)20(19-10-7-11-29-17-19)14-25(34)30-12-5-2-6-13-30/h1,3-4,7-11,15-17,20,31-32H,2,5-6,12-14H2/t20-/m1/s1.

What are the key properties of 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one?

5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one has a molecular weight of 470.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dihydroxy-8-[(1R)-3-oxo-3-piperidin-1-yl-1-pyridin-3-ylpropyl]-2-phenylchromen-4-one is sourced from PubChem (CID 124878318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).