3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione

C15H26N2O3 — CID 64968620

IUPAC3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1CC(C)COC
InChIInChI=1S/C15H26N2O3/c1-5-12-13(18)16-15(3,11-6-7-11)14(19)17(12)8-10(2)9-20-4/h10-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyJDXFUMNEOCOASV-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.17
Rot. Bonds6

About 3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione (PubChem CID 64968620) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
PubChem CID64968620
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1CC(C)COC
InChIInChI=1S/C15H26N2O3/c1-5-12-13(18)16-15(3,11-6-7-11)14(19)17(12)8-10(2)9-20-4/h10-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyJDXFUMNEOCOASV-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.17
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-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione (CID 64968620) is 3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1CC(C)COC.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione?
The InChIKey is JDXFUMNEOCOASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-12-13(18)16-15(3,11-6-7-11)14(19)17(12)8-10(2)9-20-4/h10-12H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.17, 6 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-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64968620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).