1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione

C14H19N3O4 — CID 103174320

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCOc1ccnc(CN2C(=O)C(C)NC(=O)C2C)c1OC
InChIInChI=1S/C14H19N3O4/c1-8-14(19)17(9(2)13(18)16-8)7-10-12(21-4)11(20-3)5-6-15-10/h5-6,8-9H,7H2,1-4H3,(H,16,18)
InChIKeyZBZIDOMDLZFAIC-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.33
Rot. Bonds4

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 103174320) 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]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID103174320
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCOc1ccnc(CN2C(=O)C(C)NC(=O)C2C)c1OC
InChIInChI=1S/C14H19N3O4/c1-8-14(19)17(9(2)13(18)16-8)7-10-12(21-4)11(20-3)5-6-15-10/h5-6,8-9H,7H2,1-4H3,(H,16,18)
InChIKeyZBZIDOMDLZFAIC-UHFFFAOYSA-N
XLogP0.33
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
CID 103174519
1-[(2-methoxy-4-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64969988
1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64969942
1-[(3-bromo-4-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64873863
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 103174293
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
CID 103173871
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 103173642
(3S)-3-benzyl-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165427693
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione (CID 103174320) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione is COc1ccnc(CN2C(=O)C(C)NC(=O)C2C)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is ZBZIDOMDLZFAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-14(19)17(9(2)13(18)16-8)7-10-12(21-4)11(20-3)5-6-15-10/h5-6,8-9H,7H2,1-4H3,(H,16,18).
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 293.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 103174320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).