3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione

C16H23N3O2 — CID 102879760

IUPAC3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1Cc1cncc(C)c1
InChIInChI=1S/C16H23N3O2/c1-5-13-14(20)18-16(4,6-2)15(21)19(13)10-12-7-11(3)8-17-9-12/h7-9,13H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyGQSWAVXRFTWMGW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.80
Rot. Bonds4

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

3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 102879760) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID102879760
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1Cc1cncc(C)c1
InChIInChI=1S/C16H23N3O2/c1-5-13-14(20)18-16(4,6-2)15(21)19(13)10-12-7-11(3)8-17-9-12/h7-9,13H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyGQSWAVXRFTWMGW-UHFFFAOYSA-N
XLogP1.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64887381
1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 65244834
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
1-[(5-bromothiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64886811
3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione
CID 79046562
3,6-diethyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64885090
1-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione
CID 104812714
1-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376
3,3,6,6-tetramethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879746
3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901571
1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64962763
3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 107415608

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (CID 102879760) is 3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1Cc1cncc(C)c1.
What is the InChIKey of 3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is GQSWAVXRFTWMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-13-14(20)18-16(4,6-2)15(21)19(13)10-12-7-11(3)8-17-9-12/h7-9,13H,5-6,10H2,1-4H3,(H,18,20).
What are the key properties of 3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 102879760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).