(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide

C12H17F6N3O2 — CID 129429877

IUPAC(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H17F6N3O2/c1-7(9(22)20-10(23)19-6-11(13,14)15)21-4-2-3-8(5-21)12(16,17)18/h7-8H,2-6H2,1H3,(H2,19,20,22,23)/t7-,8-/m1/s1
InChIKeyFVALOBQGAPIFRV-HTQZYQBOSA-N
MW349.28 g/mol
LogP2.04
Rot. Bonds3

About (2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide

(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 129429877) has the molecular formula C12H17F6N3O2 and a molecular weight of 349.28 g/mol. Its IUPAC name is (2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID129429877
Molecular FormulaC12H17F6N3O2
Molecular Weight349.28 g/mol
Exact Mass349.12
IUPAC Name(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H17F6N3O2/c1-7(9(22)20-10(23)19-6-11(13,14)15)21-4-2-3-8(5-21)12(16,17)18/h7-8H,2-6H2,1H3,(H2,19,20,22,23)/t7-,8-/m1/s1
InChIKeyFVALOBQGAPIFRV-HTQZYQBOSA-N
XLogP2.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
(2R)-2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 94377099
(3S,4S)-1-[1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954523
(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide
CID 124741883
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 79408805
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 42955074
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 42915661
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide
CID 48632914
N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60638694
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17411208

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 129429877) is (2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide is C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is FVALOBQGAPIFRV-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H17F6N3O2/c1-7(9(22)20-10(23)19-6-11(13,14)15)21-4-2-3-8(5-21)12(16,17)18/h7-8H,2-6H2,1H3,(H2,19,20,22,23)/t7-,8-/m1/s1.
What are the key properties of (2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 349.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 129429877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).