3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione

C12H20N2O3 — CID 114241401

IUPAC3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione
SMILESCC1COCCC1N1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H20N2O3/c1-8-7-17-5-4-9(8)14-6-10(15)13-12(2,3)11(14)16/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyYZYMHPGBXPHJHZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.15
Rot. Bonds1

About 3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione

3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione (PubChem CID 114241401) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione
PubChem CID114241401
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione
SMILESCC1COCCC1N1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H20N2O3/c1-8-7-17-5-4-9(8)14-6-10(15)13-12(2,3)11(14)16/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyYZYMHPGBXPHJHZ-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione (CID 114241401) is 3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione is CC1COCCC1N1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione?
The InChIKey is YZYMHPGBXPHJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-7-17-5-4-9(8)14-6-10(15)13-12(2,3)11(14)16/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione?
3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 114241401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).