3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione

C16H26N2O3 — CID 106002965

IUPAC3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1CCC1CCCCO1
InChIInChI=1S/C16H26N2O3/c1-2-13-15(19)17-14(11-6-7-11)16(20)18(13)9-8-12-5-3-4-10-21-12/h11-14H,2-10H2,1H3,(H,17,19)
InChIKeyFAXJGAURRWZYJY-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.46
Rot. Bonds5

About 3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 106002965) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
PubChem CID106002965
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1CCC1CCCCO1
InChIInChI=1S/C16H26N2O3/c1-2-13-15(19)17-14(11-6-7-11)16(20)18(13)9-8-12-5-3-4-10-21-12/h11-14H,2-10H2,1H3,(H,17,19)
InChIKeyFAXJGAURRWZYJY-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64966897
6-ethyl-3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967
3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64886563
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450
3-cyclopropyl-6-ethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64884857
1-but-3-enyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 113466174
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557
3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
CID 64886190
2-ethyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83250154
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006
3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64887564

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione (CID 106002965) is 3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1CCC1CCCCO1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is FAXJGAURRWZYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-13-15(19)17-14(11-6-7-11)16(20)18(13)9-8-12-5-3-4-10-21-12/h11-14H,2-10H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 294.40 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 3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106002965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).