3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione

C10H16N2O2 — CID 64885417

IUPAC3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C2CC2)NC(=O)C1C
InChIInChI=1S/C10H16N2O2/c1-3-12-6(2)9(13)11-8(10(12)14)7-4-5-7/h6-8H,3-5H2,1-2H3,(H,11,13)
InChIKeyVNMYFUPMLLMONU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds2

About 3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione

3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64885417) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64885417
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C2CC2)NC(=O)C1C
InChIInChI=1S/C10H16N2O2/c1-3-12-6(2)9(13)11-8(10(12)14)7-4-5-7/h6-8H,3-5H2,1-2H3,(H,11,13)
InChIKeyVNMYFUPMLLMONU-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione (CID 64885417) is 3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione is CCN1C(=O)C(C2CC2)NC(=O)C1C.
What is the InChIKey of 3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is VNMYFUPMLLMONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-12-6(2)9(13)11-8(10(12)14)7-4-5-7/h6-8H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione?
3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64885417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).