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

C14H24N2O3 — CID 64874959

IUPAC6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(CC2CCOC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-4-5-11-12(17)16(8-10-6-7-19-9-10)14(2,3)13(18)15-11/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyOJZVHERPXIDLAW-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds4

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

6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione (PubChem CID 64874959) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
PubChem CID64874959
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(CC2CCOC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-4-5-11-12(17)16(8-10-6-7-19-9-10)14(2,3)13(18)15-11/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyOJZVHERPXIDLAW-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(oxolan-3-ylmethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64873782
3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873223
6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64872985
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64901613
3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64902280
6-cyclopropyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64901434
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772
3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64900912
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

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione (CID 64874959) is 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(C)N(CC2CCOC2)C1=O.
What is the InChIKey of 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is OJZVHERPXIDLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-5-11-12(17)16(8-10-6-7-19-9-10)14(2,3)13(18)15-11/h10-11H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione?
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.93, 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-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64874959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).