[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone

C18H24N4O2 — CID 26337295

IUPAC[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3C)nn2)C1
InChIInChI=1S/C18H24N4O2/c1-14-6-3-4-8-16(14)11-22-12-17(19-20-22)18(23)21-9-5-7-15(10-21)13-24-2/h3-4,6,8,12,15H,5,7,9-11,13H2,1-2H3/t15-/m0/s1
InChIKeyAVCOMPPUPRIIBL-HNNXBMFYSA-N
MW328.42 g/mol
LogP2.13
Rot. Bonds5

About [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone

[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone (PubChem CID 26337295) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
PubChem CID26337295
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3C)nn2)C1
InChIInChI=1S/C18H24N4O2/c1-14-6-3-4-8-16(14)11-22-12-17(19-20-22)18(23)21-9-5-7-15(10-21)13-24-2/h3-4,6,8,12,15H,5,7,9-11,13H2,1-2H3/t15-/m0/s1
InChIKeyAVCOMPPUPRIIBL-HNNXBMFYSA-N
XLogP2.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone with MolForge

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Related Compounds

[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 25373858
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 42287586
[1-[(2-methylphenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25449029
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
methyl 4-[4-[1-[(2-methylphenyl)methyl]triazole-4-carbonyl]piperazin-1-yl]benzoate
CID 42522778
[1-(2-cyclohexylethyl)triazol-4-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45176698
(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765514
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
(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339182
[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]-[(3R)-3-(2-methylphenyl)piperidin-1-yl]methanone
CID 25479906

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone?
The IUPAC name of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone (CID 26337295) is [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone is COC[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3C)nn2)C1.
What is the InChIKey of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone?
The InChIKey is AVCOMPPUPRIIBL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-6-3-4-8-16(14)11-22-12-17(19-20-22)18(23)21-9-5-7-15(10-21)13-24-2/h3-4,6,8,12,15H,5,7,9-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone?
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone is sourced from PubChem (CID 26337295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).