3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione

C15H24N2O3 — CID 64885044

IUPAC3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1CC1CCCCO1
InChIInChI=1S/C15H24N2O3/c1-2-12-14(18)16-13(10-6-7-10)15(19)17(12)9-11-5-3-4-8-20-11/h10-13H,2-9H2,1H3,(H,16,18)
InChIKeyRPLUVCYSWLDOAE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.07
Rot. Bonds4

About 3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64885044) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64885044
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1CC1CCCCO1
InChIInChI=1S/C15H24N2O3/c1-2-12-14(18)16-13(10-6-7-10)15(19)17(12)9-11-5-3-4-8-20-11/h10-13H,2-9H2,1H3,(H,16,18)
InChIKeyRPLUVCYSWLDOAE-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione (CID 64885044) is 3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1CC1CCCCO1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is RPLUVCYSWLDOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-12-14(18)16-13(10-6-7-10)15(19)17(12)9-11-5-3-4-8-20-11/h10-13H,2-9H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of 1.07, 4 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-(oxan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64885044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).