1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione

C14H19N3O4 — CID 72930183

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(Cc2nccc(OC)c2OC)C(=O)C1=O
InChIInChI=1S/C14H19N3O4/c1-4-16-7-8-17(14(19)13(16)18)9-10-12(21-3)11(20-2)5-6-15-10/h5-6H,4,7-9H2,1-3H3
InChIKeyINUPNYCUCIDYML-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.29
Rot. Bonds5

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione (PubChem CID 72930183) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
PubChem CID72930183
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(Cc2nccc(OC)c2OC)C(=O)C1=O
InChIInChI=1S/C14H19N3O4/c1-4-16-7-8-17(14(19)13(16)18)9-10-12(21-3)11(20-2)5-6-15-10/h5-6H,4,7-9H2,1-3H3
InChIKeyINUPNYCUCIDYML-UHFFFAOYSA-N
XLogP0.29
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
CID 103173871
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 103174083
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 103173472
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162638924
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one
CID 103172885
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 103173351
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
CID 103174519
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 119047122
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione (CID 72930183) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione is CCN1CCN(Cc2nccc(OC)c2OC)C(=O)C1=O.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is INUPNYCUCIDYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-4-16-7-8-17(14(19)13(16)18)9-10-12(21-3)11(20-2)5-6-15-10/h5-6H,4,7-9H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 293.32 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 72930183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).