7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one

C35H40N6O — CID 123356785

About 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one

7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one (PubChem CID 123356785) has the molecular formula C35H40N6O and a molecular weight of 560.75 g/mol. Its IUPAC name is 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one.

Molecular Properties

• Compound Name: 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
• PubChem CID: 123356785
• Molecular Formula: C35H40N6O
• Molecular Weight: 560.75 g/mol
• Exact Mass: 560.33
• IUPAC Name: 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
• SMILES: O=c1[nH]c2cc3nc(C4CCN(c5ccccc5)CC4)n(CCCN4CCCCC4)c3cc2nc1Cc1ccccc1
• InChI: InChI=1S/C35H40N6O/c42-35-32(23-26-11-4-1-5-12-26)36-30-25-33-31(24-29(30)38-35)37-34(41(33)20-10-19-39-17-8-3-9-18-39)27-15-21-40(22-16-27)28-13-6-2-7-14-28/h1-2,4-7,11-14,24-25,27H,3,8-10,15-23H2,(H,38,42)
• InChIKey: CFEJDZDQLLAUOG-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 70.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.75
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?

The IUPAC name of 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one (CID 123356785) is 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one.

What is the SMILES notation for 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?

The canonical SMILES for 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one is O=c1[nH]c2cc3nc(C4CCN(c5ccccc5)CC4)n(CCCN4CCCCC4)c3cc2nc1Cc1ccccc1.

What is the InChIKey of 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?

The InChIKey is CFEJDZDQLLAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N6O/c42-35-32(23-26-11-4-1-5-12-26)36-30-25-33-31(24-29(30)38-35)37-34(41(33)20-10-19-39-17-8-3-9-18-39)27-15-21-40(22-16-27)28-13-6-2-7-14-28/h1-2,4-7,11-14,24-25,27H,3,8-10,15-23H2,(H,38,42).

What are the key properties of 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?

7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one has a molecular weight of 560.75 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-2-(1-phenylpiperidin-4-yl)-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 123356785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).