8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

C22H25F3N4O — CID 130201568

IUPAC8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C22H25F3N4O/c1-28(2)21(16-6-4-3-5-7-16)12-10-20(11-13-21)15-29(19(30)27-20)17-8-9-18(26-14-17)22(23,24)25/h3-9,14H,10-13,15H2,1-2H3,(H,27,30)
InChIKeyOXXMTJDAWIBEND-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.40
Rot. Bonds3

About 8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201568) has the molecular formula C22H25F3N4O and a molecular weight of 418.46 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201568
Molecular FormulaC22H25F3N4O
Molecular Weight418.46 g/mol
Exact Mass418.20
IUPAC Name8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C22H25F3N4O/c1-28(2)21(16-6-4-3-5-7-16)12-10-20(11-13-21)15-29(19(30)27-20)17-8-9-18(26-14-17)22(23,24)25/h3-9,14H,10-13,15H2,1-2H3,(H,27,30)
InChIKeyOXXMTJDAWIBEND-UHFFFAOYSA-N
XLogP4.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.40
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-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (CID 130201568) is 8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is OXXMTJDAWIBEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O/c1-28(2)21(16-6-4-3-5-7-16)12-10-20(11-13-21)15-29(19(30)27-20)17-8-9-18(26-14-17)22(23,24)25/h3-9,14H,10-13,15H2,1-2H3,(H,27,30).
What are the key properties of 8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 418.46 g/mol, XLogP of 4.40, 3 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-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).