[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone

C18H24F3N3O — CID 131678690

IUPAC[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
SMILESCC(C)CN1CCC12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2
InChIInChI=1S/C18H24F3N3O/c1-13(2)11-24-9-6-17(24)5-3-8-23(12-17)16(25)14-4-7-22-15(10-14)18(19,20)21/h4,7,10,13H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyQIMCHCZMGAOITE-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.44
Rot. Bonds3

About [1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone

[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone (PubChem CID 131678690) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is [1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
PubChem CID131678690
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
SMILESCC(C)CN1CCC12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2
InChIInChI=1S/C18H24F3N3O/c1-13(2)11-24-9-6-17(24)5-3-8-23(12-17)16(25)14-4-7-22-15(10-14)18(19,20)21/h4,7,10,13H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyQIMCHCZMGAOITE-UHFFFAOYSA-N
XLogP3.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone?
The IUPAC name of [1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone (CID 131678690) is [1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone.
What is the SMILES notation for [1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone?
The canonical SMILES for [1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone is CC(C)CN1CCC12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2.
What is the InChIKey of [1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone?
The InChIKey is QIMCHCZMGAOITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-13(2)11-24-9-6-17(24)5-3-8-23(12-17)16(25)14-4-7-22-15(10-14)18(19,20)21/h4,7,10,13H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone?
[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone has a molecular weight of 355.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone is sourced from PubChem (CID 131678690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).