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

C10H18N2O2 — CID 63788739

IUPAC4-(4-methylpentyl)piperazine-2,6-dione
SMILESCC(C)CCCN1CC(=O)NC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-8(2)4-3-5-12-6-9(13)11-10(14)7-12/h8H,3-7H2,1-2H3,(H,11,13,14)
InChIKeyPGBMHFLTKJJIGN-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.38
Rot. Bonds4

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

4-(4-methylpentyl)piperazine-2,6-dione (PubChem CID 63788739) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(4-methylpentyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-methylpentyl)piperazine-2,6-dione
PubChem CID63788739
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(4-methylpentyl)piperazine-2,6-dione
SMILESCC(C)CCCN1CC(=O)NC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-8(2)4-3-5-12-6-9(13)11-10(14)7-12/h8H,3-7H2,1-2H3,(H,11,13,14)
InChIKeyPGBMHFLTKJJIGN-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.38
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-(4-methylpentyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-methylpentyl)piperazine-2,6-dione (CID 63788739) is 4-(4-methylpentyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-methylpentyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-methylpentyl)piperazine-2,6-dione is CC(C)CCCN1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(4-methylpentyl)piperazine-2,6-dione?
The InChIKey is PGBMHFLTKJJIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(2)4-3-5-12-6-9(13)11-10(14)7-12/h8H,3-7H2,1-2H3,(H,11,13,14).
What are the key properties of 4-(4-methylpentyl)piperazine-2,6-dione?
4-(4-methylpentyl)piperazine-2,6-dione has a molecular weight of 198.27 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentyl)piperazine-2,6-dione is sourced from PubChem (CID 63788739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).