4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione

C12H20N4O4 — CID 147395411

IUPAC4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
SMILESCC(C(C)N1CC(=O)NC(O)C1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H20N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-9,17H,3-6H2,1-2H3,(H,13,18)(H,14,19,20)
InChIKeyDNRUKCHUNOCDHT-UHFFFAOYSA-N
MW284.32 g/mol
LogP-2.53
Rot. Bonds3

About 4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione

4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione (PubChem CID 147395411) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
PubChem CID147395411
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
SMILESCC(C(C)N1CC(=O)NC(O)C1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H20N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-9,17H,3-6H2,1-2H3,(H,13,18)(H,14,19,20)
InChIKeyDNRUKCHUNOCDHT-UHFFFAOYSA-N
XLogP-2.53
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-2.53
H-Bond Donors ≤ 53
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-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione (CID 147395411) is 4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione is CC(C(C)N1CC(=O)NC(O)C1)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione?
The InChIKey is DNRUKCHUNOCDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-9,17H,3-6H2,1-2H3,(H,13,18)(H,14,19,20).
What are the key properties of 4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione?
4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione has a molecular weight of 284.32 g/mol, XLogP of -2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydroxy-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 147395411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).