2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide

C12H21F3N2O2 — CID 112602539

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(C)(C)OCC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)19-7-10(18)17-8-4-5-9(16-6-8)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyGFSWSTRJFVXDDL-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.60
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide

2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 112602539) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID112602539
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(C)(C)OCC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)19-7-10(18)17-8-4-5-9(16-6-8)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyGFSWSTRJFVXDDL-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperazine
CID 56748804
5-[(4,4-Difluoropiperidin-1-yl)methyl]morpholin-3-one
CID 25054156
N-[(1S)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide
CID 70952578
N-[(1R)-3,3-difluorocyclohexyl]-2-methoxy-N-piperidin-4-ylacetamide
CID 70954255
2,2-Difluoro-5,6-di(propan-2-yl)morpholin-3-one
CID 123225313
1-(3,8-Diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanone;ethane
CID 145332332
5-[(4,4-Difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane
CID 145497278
2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide
CID 163549705
[2-oxo-2-[[(3S)-piperidin-3-yl]amino]ethyl] 2,2,2-trifluoroacetate
CID 166721318
[2-oxo-2-[[(3R)-piperidin-3-yl]amino]ethyl] 2,2,2-trifluoroacetate
CID 166721338
2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 43603390
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031382

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 112602539) is 2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(C)(C)OCC(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is GFSWSTRJFVXDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-11(2,3)19-7-10(18)17-8-4-5-9(16-6-8)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 112602539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).