(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione

C12H22N2O2 — CID 16745942

IUPAC(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione
SMILESCCCCN1C(=O)C(=O)NC[C@@H]1C(C)CC
InChIInChI=1S/C12H22N2O2/c1-4-6-7-14-10(9(3)5-2)8-13-11(15)12(14)16/h9-10H,4-8H2,1-3H3,(H,13,15)/t9?,10-/m1/s1
InChIKeyQVERZEJSWXTYFA-QVDQXJPCSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds5

About (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione

(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione (PubChem CID 16745942) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione.

Molecular Properties

Compound Name(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione
PubChem CID16745942
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione
SMILESCCCCN1C(=O)C(=O)NC[C@@H]1C(C)CC
InChIInChI=1S/C12H22N2O2/c1-4-6-7-14-10(9(3)5-2)8-13-11(15)12(14)16/h9-10H,4-8H2,1-3H3,(H,13,15)/t9?,10-/m1/s1
InChIKeyQVERZEJSWXTYFA-QVDQXJPCSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
Cyclo(alanyl-leucyl)
CID 13879946
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
N-cyclohexyl-2-(4-methyl-1-piperidinyl)acetamide hydrochloride
CID 2959553
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CID 13783106
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3R)-3-(propan-2-yl)piperazine-2,5-dione
CID 736000

Frequently Asked Questions

What is the IUPAC name of (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione?
The IUPAC name of (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione (CID 16745942) is (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione.
What is the SMILES notation for (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione?
The canonical SMILES for (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione is CCCCN1C(=O)C(=O)NC[C@@H]1C(C)CC.
What is the InChIKey of (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione?
The InChIKey is QVERZEJSWXTYFA-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-7-14-10(9(3)5-2)8-13-11(15)12(14)16/h9-10H,4-8H2,1-3H3,(H,13,15)/t9?,10-/m1/s1.
What are the key properties of (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione?
(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione has a molecular weight of 226.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione is sourced from PubChem (CID 16745942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).