2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C18H24N4O3 — CID 51080869

IUPAC2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1cccc(COCC(=O)N2CCCC(c3nncn3C)C2)c1
InChIInChI=1S/C18H24N4O3/c1-21-13-19-20-18(21)15-6-4-8-22(10-15)17(23)12-25-11-14-5-3-7-16(9-14)24-2/h3,5,7,9,13,15H,4,6,8,10-12H2,1-2H3
InChIKeyCCVSDOBPUMDKFA-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.75
Rot. Bonds6

About 2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 51080869) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID51080869
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1cccc(COCC(=O)N2CCCC(c3nncn3C)C2)c1
InChIInChI=1S/C18H24N4O3/c1-21-13-19-20-18(21)15-6-4-8-22(10-15)17(23)12-25-11-14-5-3-7-16(9-14)24-2/h3,5,7,9,13,15H,4,6,8,10-12H2,1-2H3
InChIKeyCCVSDOBPUMDKFA-UHFFFAOYSA-N
XLogP1.75
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 51080869) is 2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is COc1cccc(COCC(=O)N2CCCC(c3nncn3C)C2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is CCVSDOBPUMDKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21-13-19-20-18(21)15-6-4-8-22(10-15)17(23)12-25-11-14-5-3-7-16(9-14)24-2/h3,5,7,9,13,15H,4,6,8,10-12H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 51080869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).