1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone

C26H24F2N4O — CID 138650688

About 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone

1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone (PubChem CID 138650688) has the molecular formula C26H24F2N4O and a molecular weight of 446.50 g/mol. Its IUPAC name is 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone
• PubChem CID: 138650688
• Molecular Formula: C26H24F2N4O
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.19
• IUPAC Name: 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone
• SMILES: O=C(Cc1ccc2ccccc2c1)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1
• InChI: InChI=1S/C26H24F2N4O/c27-21-13-23-24(14-22(21)28)31-25(16-29-23)30-15-20-7-3-4-10-32(20)26(33)12-17-8-9-18-5-1-2-6-19(18)11-17/h1-2,5-6,8-9,11,13-14,16,20H,3-4,7,10,12,15H2,(H,30,31)/t20-/m0/s1
• InChIKey: OXAFCYQIIIUJJZ-FQEVSTJZSA-N
• XLogP: 5.10
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone?

The IUPAC name of 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone (CID 138650688) is 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone.

What is the SMILES notation for 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone?

The canonical SMILES for 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1.

What is the InChIKey of 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone?

The InChIKey is OXAFCYQIIIUJJZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H24F2N4O/c27-21-13-23-24(14-22(21)28)31-25(16-29-23)30-15-20-7-3-4-10-32(20)26(33)12-17-8-9-18-5-1-2-6-19(18)11-17/h1-2,5-6,8-9,11,13-14,16,20H,3-4,7,10,12,15H2,(H,30,31)/t20-/m0/s1.

What are the key properties of 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone?

1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone has a molecular weight of 446.50 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone is sourced from PubChem (CID 138650688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).