1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione

C10H19N3O3 — CID 107506202

IUPAC1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione
SMILESCNC(COC)CN1CCN(C)C(=O)C1=O
InChIInChI=1S/C10H19N3O3/c1-11-8(7-16-3)6-13-5-4-12(2)9(14)10(13)15/h8,11H,4-7H2,1-3H3
InChIKeyYMRWZFUFKLAGFM-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.48
Rot. Bonds5

About 1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione

1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione (PubChem CID 107506202) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione
PubChem CID107506202
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione
SMILESCNC(COC)CN1CCN(C)C(=O)C1=O
InChIInChI=1S/C10H19N3O3/c1-11-8(7-16-3)6-13-5-4-12(2)9(14)10(13)15/h8,11H,4-7H2,1-3H3
InChIKeyYMRWZFUFKLAGFM-UHFFFAOYSA-N
XLogP-1.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-3-(4-methyl-2,3-dioxopiperazin-1-yl)propanoate
CID 81100055
1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione
CID 62927722
1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 107506402
1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione
CID 62928789
1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one
CID 107506359
1-(azepan-1-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505254
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione
CID 113449235
5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107506472
1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione
CID 107506199
1-methoxy-N-methyl-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 107505701
1-[2-(2-aminoethoxy)ethyl]-4-methylpiperazine-2,3-dione
CID 103482343
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione (CID 107506202) is 1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione is CNC(COC)CN1CCN(C)C(=O)C1=O.
What is the InChIKey of 1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione?
The InChIKey is YMRWZFUFKLAGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-11-8(7-16-3)6-13-5-4-12(2)9(14)10(13)15/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione?
1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione has a molecular weight of 229.28 g/mol, XLogP of -1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 107506202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).