8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

C23H26F4N4O — CID 130201528

IUPAC8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H26F4N4O/c1-15-11-19(23(25,26)27)28-13-18(15)31-14-21(29-20(31)32)7-9-22(10-8-21,30(2)3)16-5-4-6-17(24)12-16/h4-6,11-13H,7-10,14H2,1-3H3,(H,29,32)
InChIKeyCNUYOTVBTXJHAC-UHFFFAOYSA-N
MW450.48 g/mol
LogP4.85
Rot. Bonds3

About 8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201528) has the molecular formula C23H26F4N4O and a molecular weight of 450.48 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201528
Molecular FormulaC23H26F4N4O
Molecular Weight450.48 g/mol
Exact Mass450.20
IUPAC Name8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H26F4N4O/c1-15-11-19(23(25,26)27)28-13-18(15)31-14-21(29-20(31)32)7-9-22(10-8-21,30(2)3)16-5-4-6-17(24)12-16/h4-6,11-13H,7-10,14H2,1-3H3,(H,29,32)
InChIKeyCNUYOTVBTXJHAC-UHFFFAOYSA-N
XLogP4.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (CID 130201528) is 8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is CNUYOTVBTXJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N4O/c1-15-11-19(23(25,26)27)28-13-18(15)31-14-21(29-20(31)32)7-9-22(10-8-21,30(2)3)16-5-4-6-17(24)12-16/h4-6,11-13H,7-10,14H2,1-3H3,(H,29,32).
What are the key properties of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 450.48 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).