3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione

C16H21N3O2 — CID 107586974

IUPAC3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1c1cncc(C)c1
InChIInChI=1S/C16H21N3O2/c1-4-13-14(20)18-16(3,11-5-6-11)15(21)19(13)12-7-10(2)8-17-9-12/h7-9,11,13H,4-6H2,1-3H3,(H,18,20)
InChIKeyHBLPGKPHVKMSSN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.80
Rot. Bonds3

About 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione

3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione (PubChem CID 107586974) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
PubChem CID107586974
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1c1cncc(C)c1
InChIInChI=1S/C16H21N3O2/c1-4-13-14(20)18-16(3,11-5-6-11)15(21)19(13)12-7-10(2)8-17-9-12/h7-9,11,13H,4-6H2,1-3H3,(H,18,20)
InChIKeyHBLPGKPHVKMSSN-UHFFFAOYSA-N
XLogP1.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957444
3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959074
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione
CID 79046562
3-ethyl-6-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
CID 107587018
3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
CID 64972432
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
CID 106733614
3-cyclopropyl-1-(1-cyclopropylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960714
3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879760
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione
CID 64961110
3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione
CID 64960889

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione (CID 107586974) is 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1c1cncc(C)c1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione?
The InChIKey is HBLPGKPHVKMSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-13-14(20)18-16(3,11-5-6-11)15(21)19(13)12-7-10(2)8-17-9-12/h7-9,11,13H,4-6H2,1-3H3,(H,18,20).
What are the key properties of 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione is sourced from PubChem (CID 107586974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).