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

C23H26ClF3N4O — CID 130201444

IUPAC8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(Cl)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H26ClF3N4O/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)
InChIKeyGIOVRVYFKBKQDZ-UHFFFAOYSA-N
MW466.94 g/mol
LogP5.36
Rot. Bonds3

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

8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201444) has the molecular formula C23H26ClF3N4O and a molecular weight of 466.94 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201444
Molecular FormulaC23H26ClF3N4O
Molecular Weight466.94 g/mol
Exact Mass466.17
IUPAC Name8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(Cl)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H26ClF3N4O/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)
InChIKeyGIOVRVYFKBKQDZ-UHFFFAOYSA-N
XLogP5.36
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.94
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (CID 130201444) is 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(Cl)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is GIOVRVYFKBKQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N4O/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-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 466.94 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).