3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione

C16H24N2O3 — CID 64885637

IUPAC3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CC2CCOCC2)C1C1CC1
InChIInChI=1S/C16H24N2O3/c19-15-14(12-3-4-12)18(9-10-5-7-21-8-6-10)16(20)13(17-15)11-1-2-11/h10-14H,1-9H2,(H,17,19)
InChIKeyZGFXTIBAAAAKES-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.93
Rot. Bonds4

About 3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione

3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione (PubChem CID 64885637) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
PubChem CID64885637
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CC2CCOCC2)C1C1CC1
InChIInChI=1S/C16H24N2O3/c19-15-14(12-3-4-12)18(9-10-5-7-21-8-6-10)16(20)13(17-15)11-1-2-11/h10-14H,1-9H2,(H,17,19)
InChIKeyZGFXTIBAAAAKES-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethyl)-6-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64874680
6-cyclopropyl-1-(cyclopropylmethyl)-3-propylpiperazine-2,5-dione
CID 64874160
1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134
3-cyclohexyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881332
3,6-dicyclopropyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627691
2-ethyl-5-methyl-3-(oxan-4-ylmethyl)imidazolidin-4-one
CID 83257022
5-ethyl-2-methyl-3-(oxan-4-ylmethyl)imidazolidin-4-one
CID 83257443
6-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64872906
3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64885072
6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione
CID 116524642
6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione
CID 64886009
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione (CID 64885637) is 3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione is O=C1NC(C2CC2)C(=O)N(CC2CCOCC2)C1C1CC1.
What is the InChIKey of 3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The InChIKey is ZGFXTIBAAAAKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-15-14(12-3-4-12)18(9-10-5-7-21-8-6-10)16(20)13(17-15)11-1-2-11/h10-14H,1-9H2,(H,17,19).
What are the key properties of 3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione has a molecular weight of 292.38 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 3,6-dicyclopropyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64885637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).