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

C15H18F3N3O — CID 50962232

IUPAC8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(Cc3ccc(C(F)(F)F)nc3)CC2)CN1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-2-1-11(8-19-12)9-21-5-3-14(4-6-21)7-13(22)20-10-14/h1-2,8H,3-7,9-10H2,(H,20,22)
InChIKeyKGOUKDKWBTYMPU-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.20
Rot. Bonds2

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

8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50962232) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50962232
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(Cc3ccc(C(F)(F)F)nc3)CC2)CN1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-2-1-11(8-19-12)9-21-5-3-14(4-6-21)7-13(22)20-10-14/h1-2,8H,3-7,9-10H2,(H,20,22)
InChIKeyKGOUKDKWBTYMPU-UHFFFAOYSA-N
XLogP2.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 50962232) is 8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(Cc3ccc(C(F)(F)F)nc3)CC2)CN1.
What is the InChIKey of 8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KGOUKDKWBTYMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c16-15(17,18)12-2-1-11(8-19-12)9-21-5-3-14(4-6-21)7-13(22)20-10-14/h1-2,8H,3-7,9-10H2,(H,20,22).
What are the key properties of 8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 313.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50962232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).