[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

C16H23F3N4O2 — CID 46986931

IUPAC[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)(O)c1cn(CC2CCCN(C(=O)C3(C(F)(F)F)CC3)C2)nn1
InChIInChI=1S/C16H23F3N4O2/c1-14(2,25)12-10-23(21-20-12)9-11-4-3-7-22(8-11)13(24)15(5-6-15)16(17,18)19/h10-11,25H,3-9H2,1-2H3
InChIKeyFDDOZYCWGIUKPW-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.09
Rot. Bonds4

About [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 46986931) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID46986931
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)(O)c1cn(CC2CCCN(C(=O)C3(C(F)(F)F)CC3)C2)nn1
InChIInChI=1S/C16H23F3N4O2/c1-14(2,25)12-10-23(21-20-12)9-11-4-3-7-22(8-11)13(24)15(5-6-15)16(17,18)19/h10-11,25H,3-9H2,1-2H3
InChIKeyFDDOZYCWGIUKPW-UHFFFAOYSA-N
XLogP2.09
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]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

[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46997964
2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol
CID 29001022
1-[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)ethane-1,2-dione
CID 46988925
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 75260817
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
tert-butyl 3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidine-1-carboxylate
CID 121208608
1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 46983393
[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 46992391
(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166513724
N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide
CID 95194251
3-[[4-[(3,3-difluoropiperidin-1-yl)methyl]triazol-1-yl]methyl]-N-ethylpiperidine-1-carboxamide
CID 45189124
[3-[(4-cyclopropyltriazol-1-yl)methyl]azepan-1-yl]-[(1S)-2,2-difluorocyclopropyl]methanone
CID 146153493

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (CID 46986931) is [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is CC(C)(O)c1cn(CC2CCCN(C(=O)C3(C(F)(F)F)CC3)C2)nn1.
What is the InChIKey of [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is FDDOZYCWGIUKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-14(2,25)12-10-23(21-20-12)9-11-4-3-7-22(8-11)13(24)15(5-6-15)16(17,18)19/h10-11,25H,3-9H2,1-2H3.
What are the key properties of [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 360.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 46986931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).