4-(2-methylbutyl)piperazine-2,6-dione

C9H16N2O2 — CID 63788738

IUPAC4-(2-methylbutyl)piperazine-2,6-dione
SMILESCCC(C)CN1CC(=O)NC(=O)C1
InChIInChI=1S/C9H16N2O2/c1-3-7(2)4-11-5-8(12)10-9(13)6-11/h7H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyDNADLCUJYKYXEN-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.01
Rot. Bonds3

About 4-(2-methylbutyl)piperazine-2,6-dione

4-(2-methylbutyl)piperazine-2,6-dione (PubChem CID 63788738) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-(2-methylbutyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-methylbutyl)piperazine-2,6-dione
PubChem CID63788738
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-(2-methylbutyl)piperazine-2,6-dione
SMILESCCC(C)CN1CC(=O)NC(=O)C1
InChIInChI=1S/C9H16N2O2/c1-3-7(2)4-11-5-8(12)10-9(13)6-11/h7H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyDNADLCUJYKYXEN-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-methylbutyl)piperazine-2,6-dione (CID 63788738) is 4-(2-methylbutyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-methylbutyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-methylbutyl)piperazine-2,6-dione is CCC(C)CN1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2-methylbutyl)piperazine-2,6-dione?
The InChIKey is DNADLCUJYKYXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-7(2)4-11-5-8(12)10-9(13)6-11/h7H,3-6H2,1-2H3,(H,10,12,13).
What are the key properties of 4-(2-methylbutyl)piperazine-2,6-dione?
4-(2-methylbutyl)piperazine-2,6-dione has a molecular weight of 184.24 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutyl)piperazine-2,6-dione is sourced from PubChem (CID 63788738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).