(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide

C18H24F3N3O2 — CID 120617399

IUPAC(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C18H24F3N3O2/c1-3-24(17(26)13-8-9-22-12(2)10-13)11-16(25)23-15-7-5-4-6-14(15)18(19,20)21/h4-7,12-13,22H,3,8-11H2,1-2H3,(H,23,25)/t12-,13-/m0/s1
InChIKeyBIMPEMWETIHOIT-STQMWFEESA-N
MW371.40 g/mol
LogP2.88
Rot. Bonds5

About (2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide

(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide (PubChem CID 120617399) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is (2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
PubChem CID120617399
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C18H24F3N3O2/c1-3-24(17(26)13-8-9-22-12(2)10-13)11-16(25)23-15-7-5-4-6-14(15)18(19,20)21/h4-7,12-13,22H,3,8-11H2,1-2H3,(H,23,25)/t12-,13-/m0/s1
InChIKeyBIMPEMWETIHOIT-STQMWFEESA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974404
(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
CID 124741327
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
(3R)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9095245
(2S,4S)-N-cyclopropyl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621334
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119682089
N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide
CID 46404082
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357064
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide (CID 120617399) is (2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide?
The InChIKey is BIMPEMWETIHOIT-STQMWFEESA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-3-24(17(26)13-8-9-22-12(2)10-13)11-16(25)23-15-7-5-4-6-14(15)18(19,20)21/h4-7,12-13,22H,3,8-11H2,1-2H3,(H,23,25)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide?
(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120617399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).