(6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione

C10H18N2O3 — CID 16745891

IUPAC(6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione
SMILESCCCCN1C(=O)C(=O)NC[C@@H]1C(C)O
InChIInChI=1S/C10H18N2O3/c1-3-4-5-12-8(7(2)13)6-11-9(14)10(12)15/h7-8,13H,3-6H2,1-2H3,(H,11,14)/t7?,8-/m1/s1
InChIKeySLGLLPBCNOQWEF-BRFYHDHCSA-N
MW214.26 g/mol
LogP-0.51
Rot. Bonds4

About (6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione

(6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione (PubChem CID 16745891) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione
PubChem CID16745891
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione
SMILESCCCCN1C(=O)C(=O)NC[C@@H]1C(C)O
InChIInChI=1S/C10H18N2O3/c1-3-4-5-12-8(7(2)13)6-11-9(14)10(12)15/h7-8,13H,3-6H2,1-2H3,(H,11,14)/t7?,8-/m1/s1
InChIKeySLGLLPBCNOQWEF-BRFYHDHCSA-N
XLogP-0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione?
The IUPAC name of (6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione (CID 16745891) is (6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione.
What is the SMILES notation for (6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione?
The canonical SMILES for (6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione is CCCCN1C(=O)C(=O)NC[C@@H]1C(C)O.
What is the InChIKey of (6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione?
The InChIKey is SLGLLPBCNOQWEF-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-4-5-12-8(7(2)13)6-11-9(14)10(12)15/h7-8,13H,3-6H2,1-2H3,(H,11,14)/t7?,8-/m1/s1.
What are the key properties of (6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione?
(6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione has a molecular weight of 214.26 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione is sourced from PubChem (CID 16745891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).