fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate

C20H28F2N4O3 — CID 142419000

About fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate

fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate (PubChem CID 142419000) has the molecular formula C20H28F2N4O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate.

Molecular Properties

• Compound Name: fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate
• PubChem CID: 142419000
• Molecular Formula: C20H28F2N4O3
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.21
• IUPAC Name: fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate
• SMILES: CC(C(=O)OF)N1CCC(F)(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1
• InChI: InChI=1S/C20H28F2N4O3/c1-14(18(27)29-22)26-12-8-20(21,9-13-26)19(28)24-11-3-5-16-7-6-15-4-2-10-23-17(15)25-16/h6-7,14H,2-5,8-13H2,1H3,(H,23,25)(H,24,28)
• InChIKey: ZPUHAAVWJLVEEC-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate?

The IUPAC name of fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate (CID 142419000) is fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate.

What is the SMILES notation for fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate?

The canonical SMILES for fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate is CC(C(=O)OF)N1CCC(F)(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1.

What is the InChIKey of fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate?

The InChIKey is ZPUHAAVWJLVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N4O3/c1-14(18(27)29-22)26-12-8-20(21,9-13-26)19(28)24-11-3-5-16-7-6-15-4-2-10-23-17(15)25-16/h6-7,14H,2-5,8-13H2,1H3,(H,23,25)(H,24,28).

What are the key properties of fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate?

fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate has a molecular weight of 410.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for fluoro 2-[4-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoate is sourced from PubChem (CID 142419000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).