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

C14H16F3N3O3 — CID 95328319

IUPAC2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C14H16F3N3O3/c1-8-3-2-4-20(7-8)13(23)12(22)19-10-5-9(14(15,16)17)6-18-11(10)21/h5-6,8H,2-4,7H2,1H3,(H,18,21)(H,19,22)/t8-/m0/s1
InChIKeyYAQLIKCYBRFJNR-QMMMGPOBSA-N
MW331.29 g/mol
LogP1.59
Rot. Bonds1

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

2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (PubChem CID 95328319) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
PubChem CID95328319
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C14H16F3N3O3/c1-8-3-2-4-20(7-8)13(23)12(22)19-10-5-9(14(15,16)17)6-18-11(10)21/h5-6,8H,2-4,7H2,1H3,(H,18,21)(H,19,22)/t8-/m0/s1
InChIKeyYAQLIKCYBRFJNR-QMMMGPOBSA-N
XLogP1.59
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 96523087
3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide
CID 75512208
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55794730
2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 119399137
N-(4-hydroxy-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108509533
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752
N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
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-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108501574
2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide
CID 169114106

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (CID 95328319) is 2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1.
What is the InChIKey of 2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The InChIKey is YAQLIKCYBRFJNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-8-3-2-4-20(7-8)13(23)12(22)19-10-5-9(14(15,16)17)6-18-11(10)21/h5-6,8H,2-4,7H2,1H3,(H,18,21)(H,19,22)/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide has a molecular weight of 331.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 95328319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).