(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

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

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Related Compounds

(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 4731355
[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 95043075
2-[(4-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131691683
[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 131678690
8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 66700967
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155874190
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
[(3R,5R)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 131688625
CID 160639767
CID 160639767
(Z)-3-hydroxy-2-methyl-1,3-bis[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-one
CID 167430172
azepan-1-yl-(2-tert-butyl-4-pyridinyl)methanone
CID 4731353
[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3235148

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).