(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone

C15H18F3N3O — CID 121451640

IUPAC(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone
SMILESCN1CCC2(CC1)CN(C(=O)c1ccnc(C(F)(F)F)c1)C2
InChIInChI=1S/C15H18F3N3O/c1-20-6-3-14(4-7-20)9-21(10-14)13(22)11-2-5-19-12(8-11)15(16,17)18/h2,5,8H,3-4,6-7,9-10H2,1H3
InChIKeyWBQCMJIEFZDXJZ-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.27
Rot. Bonds1

About (7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone

(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone (PubChem CID 121451640) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is (7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone
PubChem CID121451640
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone
SMILESCN1CCC2(CC1)CN(C(=O)c1ccnc(C(F)(F)F)c1)C2
InChIInChI=1S/C15H18F3N3O/c1-20-6-3-14(4-7-20)9-21(10-14)13(22)11-2-5-19-12(8-11)15(16,17)18/h2,5,8H,3-4,6-7,9-10H2,1H3
InChIKeyWBQCMJIEFZDXJZ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone?
The IUPAC name of (7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone (CID 121451640) is (7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone.
What is the SMILES notation for (7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone?
The canonical SMILES for (7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone is CN1CCC2(CC1)CN(C(=O)c1ccnc(C(F)(F)F)c1)C2.
What is the InChIKey of (7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone?
The InChIKey is WBQCMJIEFZDXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-20-6-3-14(4-7-20)9-21(10-14)13(22)11-2-5-19-12(8-11)15(16,17)18/h2,5,8H,3-4,6-7,9-10H2,1H3.
What are the key properties of (7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone?
(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone has a molecular weight of 313.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone is sourced from PubChem (CID 121451640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).