ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate

C20H23F3N4O3 — CID 42297998

IUPACethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C20H23F3N4O3/c1-2-30-18(28)11-15-8-5-6-10-27(15)19(29)17-13-26(25-24-17)12-14-7-3-4-9-16(14)20(21,22)23/h3-4,7,9,13,15H,2,5-6,8,10-12H2,1H3/t15-/m0/s1
InChIKeyMUDCZGOJYAYDMM-HNNXBMFYSA-N
MW424.42 g/mol
LogP3.29
Rot. Bonds6

About ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate

ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate (PubChem CID 42297998) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
PubChem CID42297998
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Nameethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C20H23F3N4O3/c1-2-30-18(28)11-15-8-5-6-10-27(15)19(29)17-13-26(25-24-17)12-14-7-3-4-9-16(14)20(21,22)23/h3-4,7,9,13,15H,2,5-6,8,10-12H2,1H3/t15-/m0/s1
InChIKeyMUDCZGOJYAYDMM-HNNXBMFYSA-N
XLogP3.29
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate 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

ethyl (3R)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidine-3-carboxylate
CID 26324126
ethyl (3S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidine-3-carboxylate
CID 26324127
[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 42287586
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42194310
N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25446260
N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 42191599
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 28634915
ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate
CID 25369911
ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate
CID 70729052
N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 25294724
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
ethyl 2-[(2R)-1-[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 42195751

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate (CID 42297998) is ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate is CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate?
The InChIKey is MUDCZGOJYAYDMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-2-30-18(28)11-15-8-5-6-10-27(15)19(29)17-13-26(25-24-17)12-14-7-3-4-9-16(14)20(21,22)23/h3-4,7,9,13,15H,2,5-6,8,10-12H2,1H3/t15-/m0/s1.
What are the key properties of ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate?
ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate has a molecular weight of 424.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate is sourced from PubChem (CID 42297998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).