6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione

C15H26N2O3 — CID 64872985

IUPAC6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(CC2CCCCO2)C1=O
InChIInChI=1S/C15H26N2O3/c1-4-7-12-13(18)17(15(2,3)14(19)16-12)10-11-8-5-6-9-20-11/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeySZDDHQZKLAIONH-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds4

About 6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione

6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione (PubChem CID 64872985) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione
PubChem CID64872985
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(CC2CCCCO2)C1=O
InChIInChI=1S/C15H26N2O3/c1-4-7-12-13(18)17(15(2,3)14(19)16-12)10-11-8-5-6-9-20-11/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeySZDDHQZKLAIONH-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64900781
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874959
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772
6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874947
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874564
6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64872787
3-tert-butyl-6,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 65170251
1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 82924165
6-cyclopropyl-3,3,6-trimethyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64903543

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione (CID 64872985) is 6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(C)N(CC2CCCCO2)C1=O.
What is the InChIKey of 6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is SZDDHQZKLAIONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-7-12-13(18)17(15(2,3)14(19)16-12)10-11-8-5-6-9-20-11/h11-12H,4-10H2,1-3H3,(H,16,19).
What are the key properties of 6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione?
6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64872985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).