8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one

C22H23F3N2O3 — CID 56602659

IUPAC8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(Cc1ccccc1)CC2O
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)30-18-8-6-17(7-9-18)27-13-11-21(20(27)29)10-12-26(15-19(21)28)14-16-4-2-1-3-5-16/h1-9,19,28H,10-15H2
InChIKeyXGZOQJBQECHXJE-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.58
Rot. Bonds4

About 8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one

8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 56602659) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID56602659
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(Cc1ccccc1)CC2O
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)30-18-8-6-17(7-9-18)27-13-11-21(20(27)29)10-12-26(15-19(21)28)14-16-4-2-1-3-5-16/h1-9,19,28H,10-15H2
InChIKeyXGZOQJBQECHXJE-UHFFFAOYSA-N
XLogP3.58
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 56602659) is 8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(Cc1ccccc1)CC2O.
What is the InChIKey of 8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XGZOQJBQECHXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-22(24,25)30-18-8-6-17(7-9-18)27-13-11-21(20(27)29)10-12-26(15-19(21)28)14-16-4-2-1-3-5-16/h1-9,19,28H,10-15H2.
What are the key properties of 8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 420.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 56602659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).