6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione

C15H26N2O3 — CID 65170495

IUPAC6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCCC1CCCO1
InChIInChI=1S/C15H26N2O3/c1-4-12-13(18)16-15(2,3)14(19)17(12)9-5-7-11-8-6-10-20-11/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyWQIICIJJRFUXRK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds5

About 6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione

6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione (PubChem CID 65170495) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
PubChem CID65170495
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCCC1CCCO1
InChIInChI=1S/C15H26N2O3/c1-4-12-13(18)16-15(2,3)14(19)17(12)9-5-7-11-8-6-10-20-11/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyWQIICIJJRFUXRK-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-ethyl-3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815
1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64959171
6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64873811
3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64887574
3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170452
6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170198
3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002969
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64966897
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione (CID 65170495) is 6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1CCCC1CCCO1.
What is the InChIKey of 6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The InChIKey is WQIICIJJRFUXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-12-13(18)16-15(2,3)14(19)17(12)9-5-7-11-8-6-10-20-11/h11-12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione is sourced from PubChem (CID 65170495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).