6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C22H23N3O3 — CID 78056430

About 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 78056430) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
• PubChem CID: 78056430
• Molecular Formula: C22H23N3O3
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.17
• IUPAC Name: 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
• SMILES: O=C1CCc2cc(C=CC(=O)N3CCC(c4cccc(O)c4)CC3)cnc2N1
• InChI: InChI=1S/C22H23N3O3/c26-19-3-1-2-17(13-19)16-8-10-25(11-9-16)21(28)7-4-15-12-18-5-6-20(27)24-22(18)23-14-15/h1-4,7,12-14,16,26H,5-6,8-11H2,(H,23,24,27)
• InChIKey: PFQQNEGXVVONEY-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 82.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The IUPAC name of 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 78056430) is 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

What is the SMILES notation for 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The canonical SMILES for 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(C=CC(=O)N3CCC(c4cccc(O)c4)CC3)cnc2N1.

What is the InChIKey of 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The InChIKey is PFQQNEGXVVONEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-19-3-1-2-17(13-19)16-8-10-25(11-9-16)21(28)7-4-15-12-18-5-6-20(27)24-22(18)23-14-15/h1-4,7,12-14,16,26H,5-6,8-11H2,(H,23,24,27).

What are the key properties of 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 78056430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).