(4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C17H22N4O2 — CID 53192373

IUPAC(4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3n[nH]c(C)n3)CC2)c(C)c1
InChIInChI=1S/C17H22N4O2/c1-11-10-14(23-3)4-5-15(11)17(22)21-8-6-13(7-9-21)16-18-12(2)19-20-16/h4-5,10,13H,6-9H2,1-3H3,(H,18,19,20)
InChIKeyASFZIGGVKZVZMY-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.45
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192373) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192373
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3n[nH]c(C)n3)CC2)c(C)c1
InChIInChI=1S/C17H22N4O2/c1-11-10-14(23-3)4-5-15(11)17(22)21-8-6-13(7-9-21)16-18-12(2)19-20-16/h4-5,10,13H,6-9H2,1-3H3,(H,18,19,20)
InChIKeyASFZIGGVKZVZMY-UHFFFAOYSA-N
XLogP2.45
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192373) is (4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(c3n[nH]c(C)n3)CC2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is ASFZIGGVKZVZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-10-14(23-3)4-5-15(11)17(22)21-8-6-13(7-9-21)16-18-12(2)19-20-16/h4-5,10,13H,6-9H2,1-3H3,(H,18,19,20).
What are the key properties of (4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).