3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione

C14H19N3O2 — CID 64970698

IUPAC3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(c2cnccc2C)C1=O
InChIInChI=1S/C14H19N3O2/c1-4-9(2)13-14(19)17(8-12(18)16-13)11-7-15-6-5-10(11)3/h5-7,9,13H,4,8H2,1-3H3,(H,16,18)
InChIKeyIPBNQBODWYLMOP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.27
Rot. Bonds3

About 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione

3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione (PubChem CID 64970698) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione
PubChem CID64970698
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(c2cnccc2C)C1=O
InChIInChI=1S/C14H19N3O2/c1-4-9(2)13-14(19)17(8-12(18)16-13)11-7-15-6-5-10(11)3/h5-7,9,13H,4,8H2,1-3H3,(H,16,18)
InChIKeyIPBNQBODWYLMOP-UHFFFAOYSA-N
XLogP1.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione with MolForge

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Related Compounds

1-(4-methyl-3-pyridinyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970731
3-butan-2-yl-1-(2-chlorophenyl)piperazine-2,5-dione
CID 64962602
1-(4-bromo-3,5-dimethylphenyl)-3-butan-2-ylpiperazine-2,5-dione
CID 107580171
3-butan-2-yl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960454
1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64970685
3-butan-2-yl-1-pyridin-3-yl-1,4-diazepane-2,5-dione
CID 64956259
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine-2,5-dione
CID 64963427
3-butan-2-yl-1-(2-chloro-5-fluorophenyl)piperazine-2,5-dione
CID 107531624
3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64960024
3-butan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
CID 66355639
1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959453
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione (CID 64970698) is 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione is CCC(C)C1NC(=O)CN(c2cnccc2C)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione?
The InChIKey is IPBNQBODWYLMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-9(2)13-14(19)17(8-12(18)16-13)11-7-15-6-5-10(11)3/h5-7,9,13H,4,8H2,1-3H3,(H,16,18).
What are the key properties of 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione?
3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione is sourced from PubChem (CID 64970698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).