[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone

C17H23N5O2 — CID 46997964

IUPAC[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCC(C)(O)c1cn(CC2CCCN(C(=O)c3ccncc3)C2)nn1
InChIInChI=1S/C17H23N5O2/c1-17(2,24)15-12-22(20-19-15)11-13-4-3-9-21(10-13)16(23)14-5-7-18-8-6-14/h5-8,12-13,24H,3-4,9-11H2,1-2H3
InChIKeySMLRLGFSELMUGT-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.45
Rot. Bonds4

About [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone

[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 46997964) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID46997964
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCC(C)(O)c1cn(CC2CCCN(C(=O)c3ccncc3)C2)nn1
InChIInChI=1S/C17H23N5O2/c1-17(2,24)15-12-22(20-19-15)11-13-4-3-9-21(10-13)16(23)14-5-7-18-8-6-14/h5-8,12-13,24H,3-4,9-11H2,1-2H3
InChIKeySMLRLGFSELMUGT-UHFFFAOYSA-N
XLogP1.45
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952364
[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 46986931
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 46992391
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 46995345
[3-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 45233859
1-[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)ethane-1,2-dione
CID 46988925
(3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31042566
2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol
CID 29001022
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 75260817

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 46997964) is [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone is CC(C)(O)c1cn(CC2CCCN(C(=O)c3ccncc3)C2)nn1.
What is the InChIKey of [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is SMLRLGFSELMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,24)15-12-22(20-19-15)11-13-4-3-9-21(10-13)16(23)14-5-7-18-8-6-14/h5-8,12-13,24H,3-4,9-11H2,1-2H3.
What are the key properties of [3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 329.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-pyridin-4-ylmethanone is sourced from PubChem (CID 46997964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).