1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione

C15H26N2O3 — CID 83040418

IUPAC1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)N(C2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-9(2)12-14(19)17(10(3)13(18)16-12)11-6-7-20-15(4,5)8-11/h9-12H,6-8H2,1-5H3,(H,16,18)
InChIKeySPVOXDJWRPDKQC-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds2

About 1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione

1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 83040418) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID83040418
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)N(C2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-9(2)12-14(19)17(10(3)13(18)16-12)11-6-7-20-15(4,5)8-11/h9-12H,6-8H2,1-5H3,(H,16,18)
InChIKeySPVOXDJWRPDKQC-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione (CID 83040418) is 1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)C(C)N(C2CCOC(C)(C)C2)C1=O.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is SPVOXDJWRPDKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9(2)12-14(19)17(10(3)13(18)16-12)11-6-7-20-15(4,5)8-11/h9-12H,6-8H2,1-5H3,(H,16,18).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 83040418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).