3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione

C13H17N3O2 — CID 64901440

IUPAC3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(Cc2ccccn2)C1=O
InChIInChI=1S/C13H17N3O2/c1-3-11-13(18)16(9(2)12(17)15-11)8-10-6-4-5-7-14-10/h4-7,9,11H,3,8H2,1-2H3,(H,15,17)
InChIKeyMDZPKLCBKZKVEL-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.71
Rot. Bonds3

About 3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione

3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64901440) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
PubChem CID64901440
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(Cc2ccccn2)C1=O
InChIInChI=1S/C13H17N3O2/c1-3-11-13(18)16(9(2)12(17)15-11)8-10-6-4-5-7-14-10/h4-7,9,11H,3,8H2,1-2H3,(H,15,17)
InChIKeyMDZPKLCBKZKVEL-UHFFFAOYSA-N
XLogP0.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
Piperazine, 2-pyridylethyl-
CID 566605
1-Pyridin-2-ylmethyl-piperazine hydrochloride
CID 24761072
2-(6-Chloro-3-((2,2-difluoro-2-(2-pyridinyl)ethyl)amino)-2-oxo-1(2H)-pyrazinyl)-N-((2-fluoro-6-pyridinyl)methyl)acetamide
CID 447219
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N-phenyl-N'-pyridin-3-yloxamide
CID 1949535
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
N-(2-Pyridylmethyl)piperazine-1-ethylamine
CID 81406
N-{2-methyl-1-[(pyridin-4-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3240382
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-methylpyridine-2-carboxamide
CID 12272691

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione (CID 64901440) is 3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione is CCC1NC(=O)C(C)N(Cc2ccccn2)C1=O.
What is the InChIKey of 3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is MDZPKLCBKZKVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-11-13(18)16(9(2)12(17)15-11)8-10-6-4-5-7-14-10/h4-7,9,11H,3,8H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione?
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64901440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).