(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C13H18F3N3O2S — CID 124595799

IUPAC(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C13H18F3N3O2S/c1-21-6-4-17-12(20)19-5-2-3-9(7-19)11-18-10(8-22-11)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,20)/t9-/m1/s1
InChIKeyMVHGEHZOBFMLEC-SECBINFHSA-N
MW337.37 g/mol
LogP2.70
Rot. Bonds4

About (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 124595799) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID124595799
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC Name(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C13H18F3N3O2S/c1-21-6-4-17-12(20)19-5-2-3-9(7-19)11-18-10(8-22-11)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,20)/t9-/m1/s1
InChIKeyMVHGEHZOBFMLEC-SECBINFHSA-N
XLogP2.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide 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

3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 90491210
2-[(3R)-1-(2,2-dimethoxyethyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 99715742
3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 111509236
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122004458
5-[(3S)-1-(2-methoxyethylcarbamoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879803
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid
CID 122023263
N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097272
5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119947546
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95768074
2-pyrazolo[1,5-a]pyridin-3-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 146092918
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 124595799) is (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is COCCNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is MVHGEHZOBFMLEC-SECBINFHSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c1-21-6-4-17-12(20)19-5-2-3-9(7-19)11-18-10(8-22-11)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,20)/t9-/m1/s1.
What are the key properties of (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 124595799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).