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

C13H17N3O3 — CID 64969942

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(C)NC(=O)C2C)cn1
InChIInChI=1S/C13H17N3O3/c1-8-13(18)16(9(2)12(17)15-8)7-10-4-5-11(19-3)14-6-10/h4-6,8-9H,7H2,1-3H3,(H,15,17)
InChIKeyHFPOXFBIYKMWPE-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.33
Rot. Bonds3

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

1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64969942) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID64969942
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(C)NC(=O)C2C)cn1
InChIInChI=1S/C13H17N3O3/c1-8-13(18)16(9(2)12(17)15-8)7-10-4-5-11(19-3)14-6-10/h4-6,8-9H,7H2,1-3H3,(H,15,17)
InChIKeyHFPOXFBIYKMWPE-UHFFFAOYSA-N
XLogP0.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64873863
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64970066
1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 55140549
3-bromo-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 63789999
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione
CID 62992277
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406431
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080
1-[(2-chlorophenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874852
(1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
CID 164818164
1-[(6-methoxy-3-pyridinyl)methyl]-4-phenyltetrazol-5-one
CID 122144248
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione (CID 64969942) is 1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione is COc1ccc(CN2C(=O)C(C)NC(=O)C2C)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is HFPOXFBIYKMWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-13(18)16(9(2)12(17)15-8)7-10-4-5-11(19-3)14-6-10/h4-6,8-9H,7H2,1-3H3,(H,15,17).
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 263.30 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64969942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).