1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C13H20F3N3O2 — CID 97495669

IUPAC1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(C)C2(CCN(C(=O)CC(F)(F)F)CC2)C1=O
InChIInChI=1S/C13H20F3N3O2/c1-17-7-8-18(2)12(11(17)21)3-5-19(6-4-12)10(20)9-13(14,15)16/h3-9H2,1-2H3
InChIKeyGQUWEYVDJSODTO-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.70
Rot. Bonds1

About 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495669) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495669
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(C)C2(CCN(C(=O)CC(F)(F)F)CC2)C1=O
InChIInChI=1S/C13H20F3N3O2/c1-17-7-8-18(2)12(11(17)21)3-5-19(6-4-12)10(20)9-13(14,15)16/h3-9H2,1-2H3
InChIKeyGQUWEYVDJSODTO-UHFFFAOYSA-N
XLogP0.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one with MolForge

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Related Compounds

1'-Propionyl-1,4'-bipiperidine-4'-carboxamide
CID 1505268
2-[2,2-Dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 75443707
4-(Cyclopropylmethyl)-1-methyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398731
4-Ethyl-1-methyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495686
4-(4,4-Difluoropiperidin-1-yl)-1-methylpiperidine-4-carboxamide
CID 57956254
4-(4-Fluoro-4-methylpiperidin-1-yl)-1-methylpiperidine-4-carboxamide
CID 57956264
1-Acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide
CID 58307123
4,4-Difluoro-1,4'-bipiperidinyl-4'-carboxamide
CID 67187947
(1-Tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118531418
(1-Methylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118534927
1-[4-(Piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 126758346
1-[4-(Piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 145286850

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495669) is 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one is CN1CCN(C)C2(CCN(C(=O)CC(F)(F)F)CC2)C1=O.
What is the InChIKey of 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is GQUWEYVDJSODTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-17-7-8-18(2)12(11(17)21)3-5-19(6-4-12)10(20)9-13(14,15)16/h3-9H2,1-2H3.
What are the key properties of 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 307.32 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).