2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide

C19H26N6O2 — CID 56884349

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCn1cnnc1CCNC(=O)CC1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C19H26N6O2/c1-2-24-14-22-23-17(24)8-9-20-18(26)12-16-19(27)21-10-11-25(16)13-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3,(H,20,26)(H,21,27)
InChIKeyJSRNDAKXOOFFSD-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.35
Rot. Bonds8

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 56884349) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID56884349
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCn1cnnc1CCNC(=O)CC1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C19H26N6O2/c1-2-24-14-22-23-17(24)8-9-20-18(26)12-16-19(27)21-10-11-25(16)13-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3,(H,20,26)(H,21,27)
InChIKeyJSRNDAKXOOFFSD-UHFFFAOYSA-N
XLogP0.35
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide 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 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 56884349) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCn1cnnc1CCNC(=O)CC1C(=O)NCCN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is JSRNDAKXOOFFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-2-24-14-22-23-17(24)8-9-20-18(26)12-16-19(27)21-10-11-25(16)13-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3,(H,20,26)(H,21,27).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 56884349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).