3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione

C15H21N3O2 — CID 114957745

IUPAC3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(Cc2cnccc2C)C1=O
InChIInChI=1S/C15H21N3O2/c1-5-15(4)14(20)18(11(3)13(19)17-15)9-12-8-16-7-6-10(12)2/h6-8,11H,5,9H2,1-4H3,(H,17,19)
InChIKeyQLHMAGWTUXWVOJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.41
Rot. Bonds3

About 3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 114957745) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID114957745
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(Cc2cnccc2C)C1=O
InChIInChI=1S/C15H21N3O2/c1-5-15(4)14(20)18(11(3)13(19)17-15)9-12-8-16-7-6-10(12)2/h6-8,11H,5,9H2,1-4H3,(H,17,19)
InChIKeyQLHMAGWTUXWVOJ-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 105375790
1-[(2,5-difluorophenyl)methyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64885468
3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64970783
5,5-diethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
CID 114958047
3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956245
3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64887687
3-ethyl-3,6-dimethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
CID 64971074
3-ethyl-3,6-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64886998
1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64887569
3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963066
3,3,6-trimethyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64872640
3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901571

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (CID 114957745) is 3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(Cc2cnccc2C)C1=O.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is QLHMAGWTUXWVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-15(4)14(20)18(11(3)13(19)17-15)9-12-8-16-7-6-10(12)2/h6-8,11H,5,9H2,1-4H3,(H,17,19).
What are the key properties of 3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.41, 3 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-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 114957745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).