3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione

C16H23N3O2 — CID 64970783

IUPAC3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(c2cnccc2C)C1=O
InChIInChI=1S/C16H23N3O2/c1-6-16(5)15(21)19(12-9-17-8-7-11(12)4)13(10(2)3)14(20)18-16/h7-10,13H,6H2,1-5H3,(H,18,20)
InChIKeyAIJQOFQJLICNBW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.05
Rot. Bonds3

About 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64970783) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64970783
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(c2cnccc2C)C1=O
InChIInChI=1S/C16H23N3O2/c1-6-16(5)15(21)19(12-9-17-8-7-11(12)4)13(10(2)3)14(20)18-16/h7-10,13H,6H2,1-5H3,(H,18,20)
InChIKeyAIJQOFQJLICNBW-UHFFFAOYSA-N
XLogP2.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590273
3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901571
3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 114957745
3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956245
3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959285
3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64903679
3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963066
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64960140
3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973282
3-ethyl-3-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64970930

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64970783) is 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C(C)C)N(c2cnccc2C)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is AIJQOFQJLICNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-6-16(5)15(21)19(12-9-17-8-7-11(12)4)13(10(2)3)14(20)18-16/h7-10,13H,6H2,1-5H3,(H,18,20).
What are the key properties of 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64970783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).