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

C20H21Cl2N3O — CID 25190598

IUPAC8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2
InChIInChI=1S/C20H21Cl2N3O/c21-17-7-4-8-18(22)16(17)13-24-11-9-20(10-12-24)19(26)23-14-25(20)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,23,26)
InChIKeyKEDOVCNKPNVSAY-UHFFFAOYSA-N
MW390.31 g/mol
LogP3.92
Rot. Bonds3

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

8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 25190598) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID25190598
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2
InChIInChI=1S/C20H21Cl2N3O/c21-17-7-4-8-18(22)16(17)13-24-11-9-20(10-12-24)19(26)23-14-25(20)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,23,26)
InChIKeyKEDOVCNKPNVSAY-UHFFFAOYSA-N
XLogP3.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 25190598) is 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2.
What is the InChIKey of 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is KEDOVCNKPNVSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c21-17-7-4-8-18(22)16(17)13-24-11-9-20(10-12-24)19(26)23-14-25(20)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,23,26).
What are the key properties of 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 390.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 25190598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).