6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione

C12H20N2O2 — CID 64878730

IUPAC6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione
SMILESCC(C)CCN1C(=O)CNC(=O)C1C1CC1
InChIInChI=1S/C12H20N2O2/c1-8(2)5-6-14-10(15)7-13-12(16)11(14)9-3-4-9/h8-9,11H,3-7H2,1-2H3,(H,13,16)
InChIKeyASSCLFGKOPIJLR-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.77
Rot. Bonds4

About 6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione

6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione (PubChem CID 64878730) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione
PubChem CID64878730
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione
SMILESCC(C)CCN1C(=O)CNC(=O)C1C1CC1
InChIInChI=1S/C12H20N2O2/c1-8(2)5-6-14-10(15)7-13-12(16)11(14)9-3-4-9/h8-9,11H,3-7H2,1-2H3,(H,13,16)
InChIKeyASSCLFGKOPIJLR-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione (CID 64878730) is 6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione is CC(C)CCN1C(=O)CNC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione?
The InChIKey is ASSCLFGKOPIJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)5-6-14-10(15)7-13-12(16)11(14)9-3-4-9/h8-9,11H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione?
6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64878730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).