3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile

C12H18F3N3O — CID 103367515

IUPAC3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile
SMILESCC(NCC(C#N)C(F)(F)F)C(=O)N1CCCCC1
InChIInChI=1S/C12H18F3N3O/c1-9(11(19)18-5-3-2-4-6-18)17-8-10(7-16)12(13,14)15/h9-10,17H,2-6,8H2,1H3
InChIKeyXZOPXJLRJHSCMC-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.68
Rot. Bonds4

About 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile (PubChem CID 103367515) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile
PubChem CID103367515
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile
SMILESCC(NCC(C#N)C(F)(F)F)C(=O)N1CCCCC1
InChIInChI=1S/C12H18F3N3O/c1-9(11(19)18-5-3-2-4-6-18)17-8-10(7-16)12(13,14)15/h9-10,17H,2-6,8H2,1H3
InChIKeyXZOPXJLRJHSCMC-UHFFFAOYSA-N
XLogP1.68
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile with MolForge

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Related Compounds

2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
CID 66178031
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 115518643
3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile
CID 103367484
1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 113323218
2,2,2-trifluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62490280
2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 113408600
2-fluoro-3-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 107114790
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
CID 43402044
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile (CID 103367515) is 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile is CC(NCC(C#N)C(F)(F)F)C(=O)N1CCCCC1.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile?
The InChIKey is XZOPXJLRJHSCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-9(11(19)18-5-3-2-4-6-18)17-8-10(7-16)12(13,14)15/h9-10,17H,2-6,8H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile has a molecular weight of 277.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).