(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H23F3N2O3 — CID 129424922

IUPAC(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H]2C[C@@H](C)OC2=O)C1
InChIInChI=1S/C15H23F3N2O3/c1-3-19(9-15(16,17)18)13(21)11-5-4-6-20(8-11)12-7-10(2)23-14(12)22/h10-12H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyXTBBDOKFCHAGGQ-UTUOFQBUSA-N
MW336.35 g/mol
LogP1.81
Rot. Bonds4

About (3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 129424922) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID129424922
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H]2C[C@@H](C)OC2=O)C1
InChIInChI=1S/C15H23F3N2O3/c1-3-19(9-15(16,17)18)13(21)11-5-4-6-20(8-11)12-7-10(2)23-14(12)22/h10-12H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyXTBBDOKFCHAGGQ-UTUOFQBUSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120563518
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111596383
N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986627
N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120935510
1-(2-chlorofuran-3-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136536554
(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129434566
N-ethyl-1-(6-methoxypyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71922412
(3S)-N-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124516725
2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride
CID 119923251
N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride
CID 119336893
2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119923258
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 129424922) is (3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H]2C[C@@H](C)OC2=O)C1.
What is the InChIKey of (3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is XTBBDOKFCHAGGQ-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-3-19(9-15(16,17)18)13(21)11-5-4-6-20(8-11)12-7-10(2)23-14(12)22/h10-12H,3-9H2,1-2H3/t10-,11-,12+/m1/s1.
What are the key properties of (3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 129424922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).