2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

C15H18F3N3O3 — CID 96523087

IUPAC2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESCC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C15H18F3N3O3/c1-2-9-4-3-5-21(8-9)14(24)13(23)20-11-6-10(15(16,17)18)7-19-12(11)22/h6-7,9H,2-5,8H2,1H3,(H,19,22)(H,20,23)/t9-/m1/s1
InChIKeyOXBOEXWFTJBEFP-SECBINFHSA-N
MW345.32 g/mol
LogP1.98
Rot. Bonds2

About 2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (PubChem CID 96523087) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
PubChem CID96523087
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESCC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C15H18F3N3O3/c1-2-9-4-3-5-21(8-9)14(24)13(23)20-11-6-10(15(16,17)18)7-19-12(11)22/h6-7,9H,2-5,8H2,1H3,(H,19,22)(H,20,23)/t9-/m1/s1
InChIKeyOXBOEXWFTJBEFP-SECBINFHSA-N
XLogP1.98
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 119399137
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55794730
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide
CID 75512208
1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111431494
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide
CID 119399153
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide
CID 155950777
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119112164
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 94195543
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55794757

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The IUPAC name of 2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (CID 96523087) is 2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1.
What is the InChIKey of 2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The InChIKey is OXBOEXWFTJBEFP-SECBINFHSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-2-9-4-3-5-21(8-9)14(24)13(23)20-11-6-10(15(16,17)18)7-19-12(11)22/h6-7,9H,2-5,8H2,1H3,(H,19,22)(H,20,23)/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide has a molecular weight of 345.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 96523087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).