4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione

C11H13N3O3 — CID 55237904

IUPAC4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
SMILESCOc1ccc(CN2CC(=O)NC(=O)C2)cn1
InChIInChI=1S/C11H13N3O3/c1-17-11-3-2-8(4-12-11)5-14-6-9(15)13-10(16)7-14/h2-4H,5-7H2,1H3,(H,13,15,16)
InChIKeyYPHYPHAYXGGJNG-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.45
Rot. Bonds3

About 4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione

4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione (PubChem CID 55237904) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
PubChem CID55237904
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
SMILESCOc1ccc(CN2CC(=O)NC(=O)C2)cn1
InChIInChI=1S/C11H13N3O3/c1-17-11-3-2-8(4-12-11)5-14-6-9(15)13-10(16)7-14/h2-4H,5-7H2,1H3,(H,13,15,16)
InChIKeyYPHYPHAYXGGJNG-UHFFFAOYSA-N
XLogP-0.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione
CID 66085785
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
(8aS)-7-[(6-methoxy-3-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75537041
2-[(6-methoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 172739195
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849320
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione
CID 62992277
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;hydrochloride
CID 170903961
5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one
CID 140960424
1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione
CID 139347892

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione?
The IUPAC name of 4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione (CID 55237904) is 4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione?
The canonical SMILES for 4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione is COc1ccc(CN2CC(=O)NC(=O)C2)cn1.
What is the InChIKey of 4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione?
The InChIKey is YPHYPHAYXGGJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-11-3-2-8(4-12-11)5-14-6-9(15)13-10(16)7-14/h2-4H,5-7H2,1H3,(H,13,15,16).
What are the key properties of 4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione?
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione has a molecular weight of 235.24 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 55237904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).