(2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C15H17F3N2O3 — CID 96998691

IUPAC(2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCONC(=O)[C@@H]1CCC(=O)N(C)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O3/c1-20-12(21)8-7-11(14(22)19-23-2)13(20)9-3-5-10(6-4-9)15(16,17)18/h3-6,11,13H,7-8H2,1-2H3,(H,19,22)/t11-,13?/m1/s1
InChIKeyDFYQBKHMNPGREK-JTDNENJMSA-N
MW330.31 g/mol
LogP2.29
Rot. Bonds3

About (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 96998691) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID96998691
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name(2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCONC(=O)[C@@H]1CCC(=O)N(C)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O3/c1-20-12(21)8-7-11(14(22)19-23-2)13(20)9-3-5-10(6-4-9)15(16,17)18/h3-6,11,13H,7-8H2,1-2H3,(H,19,22)/t11-,13?/m1/s1
InChIKeyDFYQBKHMNPGREK-JTDNENJMSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 96998691) is (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CONC(=O)[C@@H]1CCC(=O)N(C)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is DFYQBKHMNPGREK-JTDNENJMSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-20-12(21)8-7-11(14(22)19-23-2)13(20)9-3-5-10(6-4-9)15(16,17)18/h3-6,11,13H,7-8H2,1-2H3,(H,19,22)/t11-,13?/m1/s1.
What are the key properties of (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 96998691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).