1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione

C9H15N3O2 — CID 130530892

IUPAC1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CC2CNC2)C(=O)C1=O
InChIInChI=1S/C9H15N3O2/c1-11-2-3-12(9(14)8(11)13)6-7-4-10-5-7/h7,10H,2-6H2,1H3
InChIKeyNJYDYGZQLSRGDC-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.49
Rot. Bonds2

About 1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione

1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione (PubChem CID 130530892) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione
PubChem CID130530892
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CC2CNC2)C(=O)C1=O
InChIInChI=1S/C9H15N3O2/c1-11-2-3-12(9(14)8(11)13)6-7-4-10-5-7/h7,10H,2-6H2,1H3
InChIKeyNJYDYGZQLSRGDC-UHFFFAOYSA-N
XLogP-1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione
CID 64533654
1-methyl-4-(oxiran-2-ylmethyl)piperazine-2,3-dione
CID 62929101
1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione
CID 83290625
1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one
CID 130530923
1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione
CID 79572420
1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione
CID 62927219
1-(4-aminobutyl)-4-methylpiperazine-2,3-dione
CID 62927891
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpiperazine-2,3-dione
CID 79348509
1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione
CID 62928752
1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione
CID 62928789
1-(4-chlorobut-2-enyl)-4-methylpiperazine-2,3-dione
CID 77051484
1-(2-azidoethyl)-4-methylpiperazine-2,3-dione
CID 62928792

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione (CID 130530892) is 1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione is CN1CCN(CC2CNC2)C(=O)C1=O.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione?
The InChIKey is NJYDYGZQLSRGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11-2-3-12(9(14)8(11)13)6-7-4-10-5-7/h7,10H,2-6H2,1H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione?
1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione has a molecular weight of 197.24 g/mol, XLogP of -1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 130530892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).