4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one

C17H25N3O4 — CID 70706978

IUPAC4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCOc1ccc(C(=O)N2CCN(CC(C)C)C(=O)C2C)c(OC)n1
InChIInChI=1S/C17H25N3O4/c1-11(2)10-19-8-9-20(12(3)16(19)21)17(22)13-6-7-14(23-4)18-15(13)24-5/h6-7,11-12H,8-10H2,1-5H3
InChIKeyOAXHPEXZCXSPFK-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.43
Rot. Bonds5

About 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one

4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one (PubChem CID 70706978) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
PubChem CID70706978
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCOc1ccc(C(=O)N2CCN(CC(C)C)C(=O)C2C)c(OC)n1
InChIInChI=1S/C17H25N3O4/c1-11(2)10-19-8-9-20(12(3)16(19)21)17(22)13-6-7-14(23-4)18-15(13)24-5/h6-7,11-12H,8-10H2,1-5H3
InChIKeyOAXHPEXZCXSPFK-UHFFFAOYSA-N
XLogP1.43
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-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 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one (CID 70706978) is 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one is COc1ccc(C(=O)N2CCN(CC(C)C)C(=O)C2C)c(OC)n1.
What is the InChIKey of 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is OAXHPEXZCXSPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11(2)10-19-8-9-20(12(3)16(19)21)17(22)13-6-7-14(23-4)18-15(13)24-5/h6-7,11-12H,8-10H2,1-5H3.
What are the key properties of 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 335.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 70706978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).