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

C12H15N3O2 — CID 64962332

IUPAC6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1CCc1ccccn1
InChIInChI=1S/C12H15N3O2/c1-9-12(17)14-8-11(16)15(9)7-5-10-4-2-3-6-13-10/h2-4,6,9H,5,7-8H2,1H3,(H,14,17)
InChIKeyZXJCOYBTNWFQQU-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.03
Rot. Bonds3

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

6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione (PubChem CID 64962332) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
PubChem CID64962332
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1CCc1ccccn1
InChIInChI=1S/C12H15N3O2/c1-9-12(17)14-8-11(16)15(9)7-5-10-4-2-3-6-13-10/h2-4,6,9H,5,7-8H2,1H3,(H,14,17)
InChIKeyZXJCOYBTNWFQQU-UHFFFAOYSA-N
XLogP-0.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962391
6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962323
6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64880281
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione
CID 116790844
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
1-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403256
5-methyl-2-(2-pyridin-2-ylethyl)-4H-pyrazol-3-one
CID 131883873
3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 5113911
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione (CID 64962332) is 6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione is CC1C(=O)NCC(=O)N1CCc1ccccn1.
What is the InChIKey of 6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
The InChIKey is ZXJCOYBTNWFQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-12(17)14-8-11(16)15(9)7-5-10-4-2-3-6-13-10/h2-4,6,9H,5,7-8H2,1H3,(H,14,17).
What are the key properties of 6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione?
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64962332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).