8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one

C23H26F3N3O2 — CID 130201161

IUPAC8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2
InChIInChI=1S/C23H26F3N3O2/c1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)18-8-10-19(11-9-18)31-23(24,25)26/h3-11H,12-16H2,1-2H3,(H,27,30)
InChIKeyWCVHXBVDIAFTNA-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.88
Rot. Bonds4

About 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201161) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201161
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2
InChIInChI=1S/C23H26F3N3O2/c1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)18-8-10-19(11-9-18)31-23(24,25)26/h3-11H,12-16H2,1-2H3,(H,27,30)
InChIKeyWCVHXBVDIAFTNA-UHFFFAOYSA-N
XLogP4.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one (CID 130201161) is 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is WCVHXBVDIAFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)18-8-10-19(11-9-18)31-23(24,25)26/h3-11H,12-16H2,1-2H3,(H,27,30).
What are the key properties of 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 433.47 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).