[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate

C15H22F3NO4 — CID 97015703

IUPAC[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESO=C(COC(=O)C1(O)CCCCC1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H22F3NO4/c16-15(17,18)11-5-4-8-19(9-11)12(20)10-23-13(21)14(22)6-2-1-3-7-14/h11,22H,1-10H2/t11-/m1/s1
InChIKeyHKGPGWBEVZMLDY-LLVKDONJSA-N
MW337.34 g/mol
LogP2.03
Rot. Bonds3

About [2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate

[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate (PubChem CID 97015703) has the molecular formula C15H22F3NO4 and a molecular weight of 337.34 g/mol. Its IUPAC name is [2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate
PubChem CID97015703
Molecular FormulaC15H22F3NO4
Molecular Weight337.34 g/mol
Exact Mass337.15
IUPAC Name[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESO=C(COC(=O)C1(O)CCCCC1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H22F3NO4/c16-15(17,18)11-5-4-8-19(9-11)12(20)10-23-13(21)14(22)6-2-1-3-7-14/h11,22H,1-10H2/t11-/m1/s1
InChIKeyHKGPGWBEVZMLDY-LLVKDONJSA-N
XLogP2.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate
CID 71887970
4-(4,4-Difluorocyclohexanecarbonyl)morpholine-2-carboxylic acid
CID 81930217
6-[[Acetyl(ethyl)amino]methyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid
CID 90785425
6-[[Acetyl(methyl)amino]methyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid
CID 90963052
4-[3-(Trifluoromethyl)cyclohexanecarbonyl]morpholine-2-carboxylic acid
CID 81369075
2-[1-(4,4-Difluorocyclohexanecarbonyl)piperidin-4-yl]oxyacetic acid
CID 81928554
4-[4-(Trifluoromethyl)cyclohexanecarbonyl]morpholine-2-carboxylic acid
CID 81930765
[2-oxo-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate
CID 94872750
2-[1-(4,4-Difluorocyclohexanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657372
3-[1-[2-(2,2,2-Trifluoroethoxy)acetyl]piperidin-3-yl]butanoic acid
CID 103206147
3-[1-[2-(2,2,2-Trifluoroethoxy)acetyl]piperidin-4-yl]propanoic acid
CID 103932746
3-[1-[2-(2,2,2-Trifluoroethoxy)acetyl]piperidin-3-yl]propanoic acid
CID 103932893

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of [2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate (CID 97015703) is [2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate is O=C(COC(=O)C1(O)CCCCC1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of [2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate?
The InChIKey is HKGPGWBEVZMLDY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22F3NO4/c16-15(17,18)11-5-4-8-19(9-11)12(20)10-23-13(21)14(22)6-2-1-3-7-14/h11,22H,1-10H2/t11-/m1/s1.
What are the key properties of [2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate?
[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate has a molecular weight of 337.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 97015703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).