(2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride

C15H21ClF3N3O2 — CID 120639700

IUPAC(2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCCOc2ncccc2C(F)(F)F)CCN1.Cl
InChIInChI=1S/C15H20F3N3O2.ClH/c1-10-9-11(4-6-19-10)13(22)20-7-8-23-14-12(15(16,17)18)3-2-5-21-14;/h2-3,5,10-11,19H,4,6-9H2,1H3,(H,20,22);1H/t10-,11-;/m0./s1
InChIKeyRYTPFSAJOLHLDM-ACMTZBLWSA-N
MW367.80 g/mol
LogP2.41
Rot. Bonds5

About (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120639700) has the molecular formula C15H21ClF3N3O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120639700
Molecular FormulaC15H21ClF3N3O2
Molecular Weight367.80 g/mol
Exact Mass367.13
IUPAC Name(2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCCOc2ncccc2C(F)(F)F)CCN1.Cl
InChIInChI=1S/C15H20F3N3O2.ClH/c1-10-9-11(4-6-19-10)13(22)20-7-8-23-14-12(15(16,17)18)3-2-5-21-14;/h2-3,5,10-11,19H,4,6-9H2,1H3,(H,20,22);1H/t10-,11-;/m0./s1
InChIKeyRYTPFSAJOLHLDM-ACMTZBLWSA-N
XLogP2.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride 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

4-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120697837
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120697842
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624791
(2S,4S)-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631586
(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324
2,2-dimethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402310
(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626268
3-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylcarbamoylamino]propanoic acid
CID 122007372
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
(1S,5R)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 124887194
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride (CID 120639700) is (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCCOc2ncccc2C(F)(F)F)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is RYTPFSAJOLHLDM-ACMTZBLWSA-N. The full InChI is InChI=1S/C15H20F3N3O2.ClH/c1-10-9-11(4-6-19-10)13(22)20-7-8-23-14-12(15(16,17)18)3-2-5-21-14;/h2-3,5,10-11,19H,4,6-9H2,1H3,(H,20,22);1H/t10-,11-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 367.80 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120639700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).