3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione

C13H17N3O2 — CID 64963601

IUPAC3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CCc2cccnc2)C1=O
InChIInChI=1S/C13H17N3O2/c1-9-13(18)16(10(2)12(17)15-9)7-5-11-4-3-6-14-8-11/h3-4,6,8-10H,5,7H2,1-2H3,(H,15,17)
InChIKeyMDSMUJKIXQKZJW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.36
Rot. Bonds3

About 3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione

3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione (PubChem CID 64963601) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
PubChem CID64963601
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CCc2cccnc2)C1=O
InChIInChI=1S/C13H17N3O2/c1-9-13(18)16(10(2)12(17)15-9)7-5-11-4-3-6-14-8-11/h3-4,6,8-10H,5,7H2,1-2H3,(H,15,17)
InChIKeyMDSMUJKIXQKZJW-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963504
1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 64960861
3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64872687
3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963576
3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
CID 79755635
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881794
(5S)-5-[(2S)-butan-2-yl]-3-(2-pyridin-3-ylethyl)imidazolidine-2,4-dione
CID 136580804
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 65442474
6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 107851340
5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione
CID 146103850
1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64969942

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione (CID 64963601) is 3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione is CC1NC(=O)C(C)N(CCc2cccnc2)C1=O.
What is the InChIKey of 3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione?
The InChIKey is MDSMUJKIXQKZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-13(18)16(10(2)12(17)15-9)7-5-11-4-3-6-14-8-11/h3-4,6,8-10H,5,7H2,1-2H3,(H,15,17).
What are the key properties of 3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione?
3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64963601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).