2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one

C15H25F3N2O — CID 145287214

IUPAC2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC2(CCN(CCC(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3N2O/c1-12(2)13(21)20-9-4-14(5-10-20)3-7-19(11-14)8-6-15(16,17)18/h12H,3-11H2,1-2H3
InChIKeyQAKUCXQCZLDMFQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.91
Rot. Bonds3

About 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one

2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one (PubChem CID 145287214) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
PubChem CID145287214
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC2(CCN(CCC(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3N2O/c1-12(2)13(21)20-9-4-14(5-10-20)3-7-19(11-14)8-6-15(16,17)18/h12H,3-11H2,1-2H3
InChIKeyQAKUCXQCZLDMFQ-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one with MolForge

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Related Compounds

8-(Cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97370119
1-(4-(Pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
CID 60776121
1-Isobutyl-4-(1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-3-pyrrolidinyl)piperidine
CID 45180678
2-Ethyl-8-(3,3,4,4-tetrafluorobutyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72871935
3,3,3-Trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one
CID 51076749
2,2-Dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 57658017
1-(2,8-Diazaspiro[4.5]decan-2-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700641
1-(2,8-Diazaspiro[4.5]decan-8-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700826
1-(4,4-Difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 58394601
1-(4-Tert-butylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 58395384
1-(4-Tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 58756869
1-[4-(Difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone
CID 59351363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one (CID 145287214) is 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one is CC(C)C(=O)N1CCC2(CCN(CCC(F)(F)F)C2)CC1.
What is the InChIKey of 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The InChIKey is QAKUCXQCZLDMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-12(2)13(21)20-9-4-14(5-10-20)3-7-19(11-14)8-6-15(16,17)18/h12H,3-11H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one has a molecular weight of 306.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one is sourced from PubChem (CID 145287214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).