N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride

C25H30ClFN4O2 — CID 44528899

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride (PubChem CID 44528899) has the molecular formula C25H30ClFN4O2 and a molecular weight of 472.99 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride
• PubChem CID: 44528899
• Molecular Formula: C25H30ClFN4O2
• Molecular Weight: 472.99 g/mol
• Exact Mass: 472.20
• IUPAC Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride
• SMILES: COc1ccc2ncc(F)c(CCN3CCC(NCc4ccc5c(c4)CCO5)CC3)c2n1.Cl
• InChI: InChI=1S/C25H29FN4O2.ClH/c1-31-24-5-3-22-25(29-24)20(21(26)16-28-22)8-12-30-10-6-19(7-11-30)27-15-17-2-4-23-18(14-17)9-13-32-23;/h2-5,14,16,19,27H,6-13,15H2,1H3;1H
• InChIKey: VPLGZBWOLWCKPO-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 59.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.99
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride?

The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride (CID 44528899) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride.

What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride?

The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride is COc1ccc2ncc(F)c(CCN3CCC(NCc4ccc5c(c4)CCO5)CC3)c2n1.Cl.

What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride?

The InChIKey is VPLGZBWOLWCKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2.ClH/c1-31-24-5-3-22-25(29-24)20(21(26)16-28-22)8-12-30-10-6-19(7-11-30)27-15-17-2-4-23-18(14-17)9-13-32-23;/h2-5,14,16,19,27H,6-13,15H2,1H3;1H.

What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride?

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride has a molecular weight of 472.99 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 44528899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).