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

C23H26F3N3O — CID 130200921

IUPAC8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)C(=O)N2
InChIInChI=1S/C23H26F3N3O/c1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)19-10-8-18(9-11-19)23(24,25)26/h3-11H,12-16H2,1-2H3,(H,27,30)
InChIKeyKSXZLTPRBZTFIK-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.00
Rot. Bonds3

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

8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200921) has the molecular formula C23H26F3N3O and a molecular weight of 417.48 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200921
Molecular FormulaC23H26F3N3O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)C(=O)N2
InChIInChI=1S/C23H26F3N3O/c1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)19-10-8-18(9-11-19)23(24,25)26/h3-11H,12-16H2,1-2H3,(H,27,30)
InChIKeyKSXZLTPRBZTFIK-UHFFFAOYSA-N
XLogP5.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one (CID 130200921) is 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is KSXZLTPRBZTFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O/c1-28(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-29(20(30)27-21)19-10-8-18(9-11-19)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-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 417.48 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).