4-(5-chloropentanoyl)piperazine-2,6-dione

C9H13ClN2O3 — CID 66085850

IUPAC4-(5-chloropentanoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)CCCCCl)CC(=O)N1
InChIInChI=1S/C9H13ClN2O3/c10-4-2-1-3-9(15)12-5-7(13)11-8(14)6-12/h1-6H2,(H,11,13,14)
InChIKeyWXEGJKYUDRKLKF-UHFFFAOYSA-N
MW232.67 g/mol
LogP-0.12
Rot. Bonds4

About 4-(5-chloropentanoyl)piperazine-2,6-dione

4-(5-chloropentanoyl)piperazine-2,6-dione (PubChem CID 66085850) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-(5-chloropentanoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-chloropentanoyl)piperazine-2,6-dione
PubChem CID66085850
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name4-(5-chloropentanoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)CCCCCl)CC(=O)N1
InChIInChI=1S/C9H13ClN2O3/c10-4-2-1-3-9(15)12-5-7(13)11-8(14)6-12/h1-6H2,(H,11,13,14)
InChIKeyWXEGJKYUDRKLKF-UHFFFAOYSA-N
XLogP-0.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropentanoyl)piperazine-2,6-dione?
The IUPAC name of 4-(5-chloropentanoyl)piperazine-2,6-dione (CID 66085850) is 4-(5-chloropentanoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(5-chloropentanoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(5-chloropentanoyl)piperazine-2,6-dione is O=C1CN(C(=O)CCCCCl)CC(=O)N1.
What is the InChIKey of 4-(5-chloropentanoyl)piperazine-2,6-dione?
The InChIKey is WXEGJKYUDRKLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3/c10-4-2-1-3-9(15)12-5-7(13)11-8(14)6-12/h1-6H2,(H,11,13,14).
What are the key properties of 4-(5-chloropentanoyl)piperazine-2,6-dione?
4-(5-chloropentanoyl)piperazine-2,6-dione has a molecular weight of 232.67 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropentanoyl)piperazine-2,6-dione is sourced from PubChem (CID 66085850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).