3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one

C23H25N3O4 — CID 110276638

About 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 110276638) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
• PubChem CID: 110276638
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
• SMILES: O=C(/C=C/c1ccco1)C1=C(O)C(=O)N(CCN2CCCCC2)C1c1ccccn1
• InChI: InChI=1S/C23H25N3O4/c27-19(10-9-17-7-6-16-30-17)20-21(18-8-2-3-11-24-18)26(23(29)22(20)28)15-14-25-12-4-1-5-13-25/h2-3,6-11,16,21,28H,1,4-5,12-15H2/b10-9+
• InChIKey: DGIDJCWOWKUZOT-MDZDMXLPSA-N
• XLogP: 3.14
• TPSA: 86.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?

The IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 110276638) is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

What is the SMILES notation for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?

The canonical SMILES for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one is O=C(/C=C/c1ccco1)C1=C(O)C(=O)N(CCN2CCCCC2)C1c1ccccn1.

What is the InChIKey of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?

The InChIKey is DGIDJCWOWKUZOT-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-19(10-9-17-7-6-16-30-17)20-21(18-8-2-3-11-24-18)26(23(29)22(20)28)15-14-25-12-4-1-5-13-25/h2-3,6-11,16,21,28H,1,4-5,12-15H2/b10-9+.

What are the key properties of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 407.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 110276638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).