7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one

C15H18F3N3O — CID 72850474

IUPAC7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(c3cccc(C(F)(F)F)n3)C2)C1=O
InChIInChI=1S/C15H18F3N3O/c1-20-8-3-6-14(13(20)22)7-9-21(10-14)12-5-2-4-11(19-12)15(16,17)18/h2,4-5H,3,6-10H2,1H3
InChIKeyLYNQVHDGDKIBNG-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.55
Rot. Bonds1

About 7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72850474) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72850474
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(c3cccc(C(F)(F)F)n3)C2)C1=O
InChIInChI=1S/C15H18F3N3O/c1-20-8-3-6-14(13(20)22)7-9-21(10-14)12-5-2-4-11(19-12)15(16,17)18/h2,4-5H,3,6-10H2,1H3
InChIKeyLYNQVHDGDKIBNG-UHFFFAOYSA-N
XLogP2.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72850474) is 7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(c3cccc(C(F)(F)F)n3)C2)C1=O.
What is the InChIKey of 7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LYNQVHDGDKIBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-20-8-3-6-14(13(20)22)7-9-21(10-14)12-5-2-4-11(19-12)15(16,17)18/h2,4-5H,3,6-10H2,1H3.
What are the key properties of 7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 313.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72850474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).