2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid

C18H24N4O3 — CID 166289507

IUPAC2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid
SMILESCOC(C(=O)O)C1CCN(Cc2cn(-c3ccccc3C)nn2)CC1
InChIInChI=1S/C18H24N4O3/c1-13-5-3-4-6-16(13)22-12-15(19-20-22)11-21-9-7-14(8-10-21)17(25-2)18(23)24/h3-6,12,14,17H,7-11H2,1-2H3,(H,23,24)
InChIKeyWYRBOWUYUUVBOI-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.89
Rot. Bonds6

About 2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid

2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid (PubChem CID 166289507) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid
PubChem CID166289507
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid
SMILESCOC(C(=O)O)C1CCN(Cc2cn(-c3ccccc3C)nn2)CC1
InChIInChI=1S/C18H24N4O3/c1-13-5-3-4-6-16(13)22-12-15(19-20-22)11-21-9-7-14(8-10-21)17(25-2)18(23)24/h3-6,12,14,17H,7-11H2,1-2H3,(H,23,24)
InChIKeyWYRBOWUYUUVBOI-UHFFFAOYSA-N
XLogP1.89
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-hydroxy-2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetate
CID 84594014
3-[1-(4-Fluoro-2-methylphenyl)triazol-4-yl]propanoic acid
CID 107460442
3-[1-(3-Fluoro-2-methylphenyl)triazol-4-yl]propanoic acid
CID 107460494
3-[1-(2-Fluoro-6-methylphenyl)triazol-4-yl]propanoic acid
CID 107460546
3-[1-(5-Fluoro-2-methylphenyl)triazol-4-yl]propanoic acid
CID 113961982
2-Methyl-3-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propanoic acid
CID 117167544
5,5-Difluoro-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 166267951
2-Acetyloxy-3-(1-benzyltriazol-4-yl)propanoic acid
CID 24751813
Methyl 2-acetyloxy-3-(1-benzyltriazol-4-yl)propanoate
CID 24751961
Methyl 2-hydroxy-2-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetate
CID 75440041
3-[1-(2-Ethylphenyl)triazol-4-yl]propanoic acid
CID 82369387
3-[1-(2,6-Dimethylphenyl)triazol-4-yl]propanoic acid
CID 82369423

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid (CID 166289507) is 2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid is COC(C(=O)O)C1CCN(Cc2cn(-c3ccccc3C)nn2)CC1.
What is the InChIKey of 2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid?
The InChIKey is WYRBOWUYUUVBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-5-3-4-6-16(13)22-12-15(19-20-22)11-21-9-7-14(8-10-21)17(25-2)18(23)24/h3-6,12,14,17H,7-11H2,1-2H3,(H,23,24).
What are the key properties of 2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid?
2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid has a molecular weight of 344.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[1-[[1-(2-methylphenyl)triazol-4-yl]methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 166289507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).