1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione

C12H15N3O3 — CID 64969916

IUPAC1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCOc1cc(CN2C(=O)CNC(=O)C2C)ccn1
InChIInChI=1S/C12H15N3O3/c1-8-12(17)14-6-11(16)15(8)7-9-3-4-13-10(5-9)18-2/h3-5,8H,6-7H2,1-2H3,(H,14,17)
InChIKeyPYIYPQONVSLVIG-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.06
Rot. Bonds3

About 1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione

1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 64969916) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID64969916
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCOc1cc(CN2C(=O)CNC(=O)C2C)ccn1
InChIInChI=1S/C12H15N3O3/c1-8-12(17)14-6-11(16)15(8)7-9-3-4-13-10(5-9)18-2/h3-5,8H,6-7H2,1-2H3,(H,14,17)
InChIKeyPYIYPQONVSLVIG-UHFFFAOYSA-N
XLogP-0.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione (CID 64969916) is 1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione is COc1cc(CN2C(=O)CNC(=O)C2C)ccn1.
What is the InChIKey of 1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is PYIYPQONVSLVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-12(17)14-6-11(16)15(8)7-9-3-4-13-10(5-9)18-2/h3-5,8H,6-7H2,1-2H3,(H,14,17).
What are the key properties of 1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 249.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64969916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).