2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one

C17H30N4O2 — CID 146153388

IUPAC2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(C)(C)c1cn(CC2CCN(C(=O)C(C)(C)O)CC2)nn1
InChIInChI=1S/C17H30N4O2/c1-6-16(2,3)14-12-21(19-18-14)11-13-7-9-20(10-8-13)15(22)17(4,5)23/h12-13,23H,6-11H2,1-5H3
InChIKeyZHXSPBQXBFUBQW-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.98
Rot. Bonds5

About 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one

2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 146153388) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID146153388
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(C)(C)c1cn(CC2CCN(C(=O)C(C)(C)O)CC2)nn1
InChIInChI=1S/C17H30N4O2/c1-6-16(2,3)14-12-21(19-18-14)11-13-7-9-20(10-8-13)15(22)17(4,5)23/h12-13,23H,6-11H2,1-5H3
InChIKeyZHXSPBQXBFUBQW-UHFFFAOYSA-N
XLogP1.98
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S,3S)-2-amino-1-[4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-3-methylpentan-1-one
CID 46999282
2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol
CID 29001022
2-[4-[(4-tert-butyltriazol-1-yl)methyl]piperidine-1-carbonyl]-3H-quinazolin-4-one
CID 135966433
[4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 46987931
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 103429730
[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46997964
4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 146381080
(2S,3S)-2-amino-1-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-3-methylpentan-1-one
CID 46994272
[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 46986931
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115026061
3-[[4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154889122
tert-butyl (3R)-3-[(4-carbamoyltriazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 97184477

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one (CID 146153388) is 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one is CCC(C)(C)c1cn(CC2CCN(C(=O)C(C)(C)O)CC2)nn1.
What is the InChIKey of 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is ZHXSPBQXBFUBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-16(2,3)14-12-21(19-18-14)11-13-7-9-20(10-8-13)15(22)17(4,5)23/h12-13,23H,6-11H2,1-5H3.
What are the key properties of 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one?
2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 322.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-[4-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 146153388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).