4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione

C12H18N4O4 — CID 15077630

IUPAC4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione
SMILESCC[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H18N4O4/c1-2-8(16-6-11(19)14-12(20)7-16)3-15-4-9(17)13-10(18)5-15/h8H,2-7H2,1H3,(H,13,17,18)(H,14,19,20)/t8-/m0/s1
InChIKeyLYOGHIFIHCGJCM-QMMMGPOBSA-N
MW282.30 g/mol
LogP-2.32
Rot. Bonds4

About 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione

4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione (PubChem CID 15077630) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione
PubChem CID15077630
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione
SMILESCC[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H18N4O4/c1-2-8(16-6-11(19)14-12(20)7-16)3-15-4-9(17)13-10(18)5-15/h8H,2-7H2,1H3,(H,13,17,18)(H,14,19,20)/t8-/m0/s1
InChIKeyLYOGHIFIHCGJCM-QMMMGPOBSA-N
XLogP-2.32
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-2.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione?
The IUPAC name of 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione (CID 15077630) is 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione?
The canonical SMILES for 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione is CC[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione?
The InChIKey is LYOGHIFIHCGJCM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-2-8(16-6-11(19)14-12(20)7-16)3-15-4-9(17)13-10(18)5-15/h8H,2-7H2,1H3,(H,13,17,18)(H,14,19,20)/t8-/m0/s1.
What are the key properties of 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione?
4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione has a molecular weight of 282.30 g/mol, XLogP of -2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)butyl]piperazine-2,6-dione is sourced from PubChem (CID 15077630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).