[2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone

C16H17F3N4O2 — CID 164637843

IUPAC[2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1-n1ccnn1)N1CCC[C@H](OCC(F)(F)F)C1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)11-25-12-4-3-8-22(10-12)15(24)13-5-1-2-6-14(13)23-9-7-20-21-23/h1-2,5-7,9,12H,3-4,8,10-11H2/t12-/m0/s1
InChIKeyAUBZOAIESCUXQN-LBPRGKRZSA-N
MW354.33 g/mol
LogP2.45
Rot. Bonds4

About [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone

[2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone (PubChem CID 164637843) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone
PubChem CID164637843
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name[2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1-n1ccnn1)N1CCC[C@H](OCC(F)(F)F)C1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)11-25-12-4-3-8-22(10-12)15(24)13-5-1-2-6-14(13)23-9-7-20-21-23/h1-2,5-7,9,12H,3-4,8,10-11H2/t12-/m0/s1
InChIKeyAUBZOAIESCUXQN-LBPRGKRZSA-N
XLogP2.45
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone 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

[(2R,5R)-5-[[2-fluoro-5-(triazol-1-yl)phenyl]methyl]-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 89559922
(2-(2H-1,2,3-triazol-2-yl)phenyl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyrazin-2-yl)oxy)piperidin-1-yl)methanone
CID 90404530
[(2R,5R)-5-[[2-fluoro-5-(triazol-1-yl)phenyl]methyl]-2-methylmorpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118117802
(4,4-Difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 134143971
(5R)-3-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 16125748
(5R)-3-[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 16125749
(5R)-3-[3-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 16126543
(5R)-3-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 16721058
1-{[1-(tetrahydro-2-furanylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45214811
[4-(Oxolan-2-ylmethyl)-1,4-diazepan-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 45899327
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(triazol-1-yl)benzamide
CID 132293270
[4-(triazol-1-yl)phenyl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]methanone
CID 164631246

Frequently Asked Questions

What is the IUPAC name of [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone?
The IUPAC name of [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone (CID 164637843) is [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone is O=C(c1ccccc1-n1ccnn1)N1CCC[C@H](OCC(F)(F)F)C1.
What is the InChIKey of [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone?
The InChIKey is AUBZOAIESCUXQN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)11-25-12-4-3-8-22(10-12)15(24)13-5-1-2-6-14(13)23-9-7-20-21-23/h1-2,5-7,9,12H,3-4,8,10-11H2/t12-/m0/s1.
What are the key properties of [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone?
[2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone has a molecular weight of 354.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(triazol-1-yl)phenyl]-[(3S)-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 164637843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).