6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one

C22H24N4O3 — CID 69082500

IUPAC6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-n2ccnn2)c1
InChIInChI=1S/C22H24N4O3/c1-28-19-9-5-10-20(29-2)22(19)18-8-4-11-21(27)25(18)15-16-6-3-7-17(14-16)26-13-12-23-24-26/h3,5-7,9-10,12-14,18H,4,8,11,15H2,1-2H3
InChIKeyLFVNIWRIPIAMBX-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.54
Rot. Bonds6

About 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one (PubChem CID 69082500) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one
PubChem CID69082500
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-n2ccnn2)c1
InChIInChI=1S/C22H24N4O3/c1-28-19-9-5-10-20(29-2)22(19)18-8-4-11-21(27)25(18)15-16-6-3-7-17(14-16)26-13-12-23-24-26/h3,5-7,9-10,12-14,18H,4,8,11,15H2,1-2H3
InChIKeyLFVNIWRIPIAMBX-UHFFFAOYSA-N
XLogP3.54
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one (CID 69082500) is 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-n2ccnn2)c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one?
The InChIKey is LFVNIWRIPIAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-9-5-10-20(29-2)22(19)18-8-4-11-21(27)25(18)15-16-6-3-7-17(14-16)26-13-12-23-24-26/h3,5-7,9-10,12-14,18H,4,8,11,15H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-[[3-(triazol-1-yl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 69082500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).