8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C26H34Cl2N4O — CID 25190606

About 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 25190606) has the molecular formula C26H34Cl2N4O and a molecular weight of 489.49 g/mol. Its IUPAC name is 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• PubChem CID: 25190606
• Molecular Formula: C26H34Cl2N4O
• Molecular Weight: 489.49 g/mol
• Exact Mass: 488.21
• IUPAC Name: 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• SMILES: CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
• InChI: InChI=1S/C26H34Cl2N4O/c1-3-29(4-2)17-18-31-20-32(21-9-6-5-7-10-21)26(25(31)33)13-15-30(16-14-26)19-22-23(27)11-8-12-24(22)28/h5-12H,3-4,13-20H2,1-2H3
• InChIKey: PBHBYYYIKRUVKK-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 30.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.49
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The IUPAC name of 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 25190606) is 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

What is the SMILES notation for 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The canonical SMILES for 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O.

What is the InChIKey of 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The InChIKey is PBHBYYYIKRUVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl2N4O/c1-3-29(4-2)17-18-31-20-32(21-9-6-5-7-10-21)26(25(31)33)13-15-30(16-14-26)19-22-23(27)11-8-12-24(22)28/h5-12H,3-4,13-20H2,1-2H3.

What are the key properties of 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 489.49 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 25190606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).