1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

C15H19N5O2 — CID 1474447

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3cncn3)CC2)cc1
InChIInChI=1S/C15H19N5O2/c1-22-14-4-2-13(3-5-14)18-6-8-19(9-7-18)15(21)10-20-12-16-11-17-20/h2-5,11-12H,6-10H2,1H3
InChIKeyZUQRIMWZEFQGEE-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.64
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 1474447) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID1474447
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3cncn3)CC2)cc1
InChIInChI=1S/C15H19N5O2/c1-22-14-4-2-13(3-5-14)18-6-8-19(9-7-18)15(21)10-20-12-16-11-17-20/h2-5,11-12H,6-10H2,1H3
InChIKeyZUQRIMWZEFQGEE-UHFFFAOYSA-N
XLogP0.64
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone 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 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 1474447) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is COc1ccc(N2CCN(C(=O)Cn3cncn3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is ZUQRIMWZEFQGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-22-14-4-2-13(3-5-14)18-6-8-19(9-7-18)15(21)10-20-12-16-11-17-20/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 301.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 1474447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).