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

C23H25F4N3O — CID 130201158

IUPAC8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1F)C(=O)N2
InChIInChI=1S/C23H25F4N3O/c1-29(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-30(20(31)28-21)19-9-8-17(14-18(19)24)23(25,26)27/h3-9,14H,10-13,15H2,1-2H3,(H,28,31)
InChIKeyQZYRXCKMROGHFM-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.14
Rot. Bonds3

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

8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201158) has the molecular formula C23H25F4N3O and a molecular weight of 435.47 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201158
Molecular FormulaC23H25F4N3O
Molecular Weight435.47 g/mol
Exact Mass435.19
IUPAC Name8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1F)C(=O)N2
InChIInChI=1S/C23H25F4N3O/c1-29(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-30(20(31)28-21)19-9-8-17(14-18(19)24)23(25,26)27/h3-9,14H,10-13,15H2,1-2H3,(H,28,31)
InChIKeyQZYRXCKMROGHFM-UHFFFAOYSA-N
XLogP5.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201158) is 8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1F)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is QZYRXCKMROGHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N3O/c1-29(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-30(20(31)28-21)19-9-8-17(14-18(19)24)23(25,26)27/h3-9,14H,10-13,15H2,1-2H3,(H,28,31).
What are the key properties of 8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 435.47 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).