[(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate

C21H26N4O3 — CID 98344839

About [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate

[(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate (PubChem CID 98344839) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate.

Molecular Properties

• Compound Name: [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate
• PubChem CID: 98344839
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate
• SMILES: COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1
• InChI: InChI=1S/C21H26N4O3/c1-14-7-6-10-25(12-14)20-19(23-17-8-4-5-9-18(17)24-20)16(11-22)21(26)28-15(2)13-27-3/h4-5,8-9,14-16H,6-7,10,12-13H2,1-3H3/t14-,15+,16+/m0/s1
• InChIKey: GIJBBKJVURIRHU-ARFHVFGLSA-N
• XLogP: 3.05
• TPSA: 88.34 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate?

The IUPAC name of [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate (CID 98344839) is [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate.

What is the SMILES notation for [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate?

The canonical SMILES for [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate is COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1.

What is the InChIKey of [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate?

The InChIKey is GIJBBKJVURIRHU-ARFHVFGLSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-7-6-10-25(12-14)20-19(23-17-8-4-5-9-18(17)24-20)16(11-22)21(26)28-15(2)13-27-3/h4-5,8-9,14-16H,6-7,10,12-13H2,1-3H3/t14-,15+,16+/m0/s1.

What are the key properties of [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate?

[(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate has a molecular weight of 382.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate is sourced from PubChem (CID 98344839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).