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

C18H24N4O3 — CID 71879642

IUPAC(3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3n[nH]c(C)n3)CC2)cc(OC)c1C
InChIInChI=1S/C18H24N4O3/c1-11-15(24-3)9-14(10-16(11)25-4)18(23)22-7-5-13(6-8-22)17-19-12(2)20-21-17/h9-10,13H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyKEBNVJQYKBIKLY-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.46
Rot. Bonds4

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

(3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 71879642) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID71879642
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3n[nH]c(C)n3)CC2)cc(OC)c1C
InChIInChI=1S/C18H24N4O3/c1-11-15(24-3)9-14(10-16(11)25-4)18(23)22-7-5-13(6-8-22)17-19-12(2)20-21-17/h9-10,13H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyKEBNVJQYKBIKLY-UHFFFAOYSA-N
XLogP2.46
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone 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 (3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 71879642) is (3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is COc1cc(C(=O)N2CCC(c3n[nH]c(C)n3)CC2)cc(OC)c1C.
What is the InChIKey of (3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is KEBNVJQYKBIKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-15(24-3)9-14(10-16(11)25-4)18(23)22-7-5-13(6-8-22)17-19-12(2)20-21-17/h9-10,13H,5-8H2,1-4H3,(H,19,20,21).
What are the key properties of (3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-4-methylphenyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71879642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).