3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione

C13H17N3O2 — CID 64956245

IUPAC3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2cccnc2)C1=O
InChIInChI=1S/C13H17N3O2/c1-4-13(3)12(18)16(9(2)11(17)15-13)10-6-5-7-14-8-10/h5-9H,4H2,1-3H3,(H,15,17)
InChIKeyCIHVVPLKLRGUTI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.10
Rot. Bonds2

About 3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione (PubChem CID 64956245) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
PubChem CID64956245
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2cccnc2)C1=O
InChIInChI=1S/C13H17N3O2/c1-4-13(3)12(18)16(9(2)11(17)15-13)10-6-5-7-14-8-10/h5-9H,4H2,1-3H3,(H,15,17)
InChIKeyCIHVVPLKLRGUTI-UHFFFAOYSA-N
XLogP1.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955381
3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962248
3,3-diethyl-1-pyridin-3-ylazetidine-2,4-dione
CID 44626811
1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962329
3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590273
1-(3,5-dichloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107580227
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
1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 82860800
3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64970783
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962096
3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963066

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione (CID 64956245) is 3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(c2cccnc2)C1=O.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione?
The InChIKey is CIHVVPLKLRGUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-13(3)12(18)16(9(2)11(17)15-13)10-6-5-7-14-8-10/h5-9H,4H2,1-3H3,(H,15,17).
What are the key properties of 3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione is sourced from PubChem (CID 64956245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).