3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione

C12H20N2O2 — CID 64958301

IUPAC3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
SMILESCCC(CC)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-9(4-2)14-7-10(15)13-11(12(14)16)8-5-6-8/h8-9,11H,3-7H2,1-2H3,(H,13,15)
InChIKeyKTFXYAOWCUQLGT-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds4

About 3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione

3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione (PubChem CID 64958301) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
PubChem CID64958301
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
SMILESCCC(CC)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-9(4-2)14-7-10(15)13-11(12(14)16)8-5-6-8/h8-9,11H,3-7H2,1-2H3,(H,13,15)
InChIKeyKTFXYAOWCUQLGT-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione (CID 64958301) is 3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione is CCC(CC)N1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione?
The InChIKey is KTFXYAOWCUQLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-9(4-2)14-7-10(15)13-11(12(14)16)8-5-6-8/h8-9,11H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione?
3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione is sourced from PubChem (CID 64958301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).