5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one

C22H25N3O4 — CID 146340822

About 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one

5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one (PubChem CID 146340822) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one.

Molecular Properties

• Compound Name: 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one
• PubChem CID: 146340822
• Molecular Formula: C22H25N3O4
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.18
• IUPAC Name: 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one
• SMILES: CC(=O)N1c2ccc(C3CCC(=O)N(C)C3)cc2N(C(=O)c2ccco2)C[C@@H]1C
• InChI: InChI=1S/C22H25N3O4/c1-14-12-24(22(28)20-5-4-10-29-20)19-11-16(6-8-18(19)25(14)15(2)26)17-7-9-21(27)23(3)13-17/h4-6,8,10-11,14,17H,7,9,12-13H2,1-3H3/t14-,17?/m0/s1
• InChIKey: LTLNZOKXDWFCNX-MBIQTGHCSA-N
• XLogP: 3.02
• TPSA: 74.07 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one?

The IUPAC name of 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one (CID 146340822) is 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one.

What is the SMILES notation for 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one?

The canonical SMILES for 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one is CC(=O)N1c2ccc(C3CCC(=O)N(C)C3)cc2N(C(=O)c2ccco2)C[C@@H]1C.

What is the InChIKey of 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one?

The InChIKey is LTLNZOKXDWFCNX-MBIQTGHCSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-12-24(22(28)20-5-4-10-29-20)19-11-16(6-8-18(19)25(14)15(2)26)17-7-9-21(27)23(3)13-17/h4-6,8,10-11,14,17H,7,9,12-13H2,1-3H3/t14-,17?/m0/s1.

What are the key properties of 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one?

5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one has a molecular weight of 395.46 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 146340822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).