3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione

C11H18N2O3 — CID 66074717

IUPAC3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione
SMILESCC1NCC(=O)N(CC2CCOCC2)C1=O
InChIInChI=1S/C11H18N2O3/c1-8-11(15)13(10(14)6-12-8)7-9-2-4-16-5-3-9/h8-9,12H,2-7H2,1H3
InChIKeyKIRJFALUFAVVCG-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.24
Rot. Bonds2

About 3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione

3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione (PubChem CID 66074717) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione
PubChem CID66074717
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione
SMILESCC1NCC(=O)N(CC2CCOCC2)C1=O
InChIInChI=1S/C11H18N2O3/c1-8-11(15)13(10(14)6-12-8)7-9-2-4-16-5-3-9/h8-9,12H,2-7H2,1H3
InChIKeyKIRJFALUFAVVCG-UHFFFAOYSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione (CID 66074717) is 3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione is CC1NCC(=O)N(CC2CCOCC2)C1=O.
What is the InChIKey of 3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione?
The InChIKey is KIRJFALUFAVVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-11(15)13(10(14)6-12-8)7-9-2-4-16-5-3-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione?
3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione has a molecular weight of 226.28 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 66074717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).