6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione

C16H23N3O2 — CID 64962323

IUPAC6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CCc2ccccn2)C1=O
InChIInChI=1S/C16H23N3O2/c1-11(2)10-14-16(21)19(12(3)15(20)18-14)9-7-13-6-4-5-8-17-13/h4-6,8,11-12,14H,7,9-10H2,1-3H3,(H,18,20)
InChIKeyWHJOXYDSVLWVIO-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.39
Rot. Bonds5

About 6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione

6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione (PubChem CID 64962323) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
PubChem CID64962323
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CCc2ccccn2)C1=O
InChIInChI=1S/C16H23N3O2/c1-11(2)10-14-16(21)19(12(3)15(20)18-14)9-7-13-6-4-5-8-17-13/h4-6,8,11-12,14H,7,9-10H2,1-3H3,(H,18,20)
InChIKeyWHJOXYDSVLWVIO-UHFFFAOYSA-N
XLogP1.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione 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-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione (CID 64962323) is 6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(CCc2ccccn2)C1=O.
What is the InChIKey of 6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
The InChIKey is WHJOXYDSVLWVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)10-14-16(21)19(12(3)15(20)18-14)9-7-13-6-4-5-8-17-13/h4-6,8,11-12,14H,7,9-10H2,1-3H3,(H,18,20).
What are the key properties of 6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64962323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).