1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride

C26H32ClFN4O3 — CID 44529733

About 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride

1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 44529733) has the molecular formula C26H32ClFN4O3 and a molecular weight of 503.02 g/mol. Its IUPAC name is 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride
• PubChem CID: 44529733
• Molecular Formula: C26H32ClFN4O3
• Molecular Weight: 503.02 g/mol
• Exact Mass: 502.21
• IUPAC Name: 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride
• SMILES: COc1ccc2ncc(F)c(CCN3CCC(NCc4cc(C)c5c(c4)OCCO5)CC3)c2n1.Cl
• InChI: InChI=1S/C26H31FN4O3.ClH/c1-17-13-18(14-23-26(17)34-12-11-33-23)15-28-19-5-8-31(9-6-19)10-7-20-21(27)16-29-22-3-4-24(32-2)30-25(20)22;/h3-4,13-14,16,19,28H,5-12,15H2,1-2H3;1H
• InChIKey: KWYBJJYQKRFRNH-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 68.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.02
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride?

The IUPAC name of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride (CID 44529733) is 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride.

What is the SMILES notation for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride?

The canonical SMILES for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride is COc1ccc2ncc(F)c(CCN3CCC(NCc4cc(C)c5c(c4)OCCO5)CC3)c2n1.Cl.

What is the InChIKey of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride?

The InChIKey is KWYBJJYQKRFRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3.ClH/c1-17-13-18(14-23-26(17)34-12-11-33-23)15-28-19-5-8-31(9-6-19)10-7-20-21(27)16-29-22-3-4-24(32-2)30-25(20)22;/h3-4,13-14,16,19,28H,5-12,15H2,1-2H3;1H.

What are the key properties of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride?

1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 503.02 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 44529733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).