1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione

C11H19ClN2O2 — CID 79937288

IUPAC1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CCCCCCl)CC1=O
InChIInChI=1S/C11H19ClN2O2/c1-2-13-8-11(16)14(9-10(13)15)7-5-3-4-6-12/h2-9H2,1H3
InChIKeyXJYXFSGLMNMHJO-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.09
Rot. Bonds6

About 1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione

1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione (PubChem CID 79937288) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione
PubChem CID79937288
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CCCCCCl)CC1=O
InChIInChI=1S/C11H19ClN2O2/c1-2-13-8-11(16)14(9-10(13)15)7-5-3-4-6-12/h2-9H2,1H3
InChIKeyXJYXFSGLMNMHJO-UHFFFAOYSA-N
XLogP1.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione (CID 79937288) is 1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione is CCN1CC(=O)N(CCCCCCl)CC1=O.
What is the InChIKey of 1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione?
The InChIKey is XJYXFSGLMNMHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-2-13-8-11(16)14(9-10(13)15)7-5-3-4-6-12/h2-9H2,1H3.
What are the key properties of 1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione?
1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione has a molecular weight of 246.74 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione is sourced from PubChem (CID 79937288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).