8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C30H34Cl2N4O — CID 25190590

About 8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 25190590) has the molecular formula C30H34Cl2N4O and a molecular weight of 537.54 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• PubChem CID: 25190590
• Molecular Formula: C30H34Cl2N4O
• Molecular Weight: 537.54 g/mol
• Exact Mass: 536.21
• IUPAC Name: 8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• SMILES: CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O
• InChI: InChI=1S/C30H34Cl2N4O/c1-33(2)20-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-18-34(19-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28H,16-22H2,1-2H3
• InChIKey: KTAGYIIOIMNXTN-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 30.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.54
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 25190590) is 8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

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

The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O.

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

The InChIKey is KTAGYIIOIMNXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Cl2N4O/c1-33(2)20-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-18-34(19-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28H,16-22H2,1-2H3.

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

8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 537.54 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 25190590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).