(3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione

C13H24N2O2 — CID 134870366

IUPAC(3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C13H24N2O2/c1-8(2)5-6-10-12(16)15-11(7-9(3)4)13(17)14-10/h8-11H,5-7H2,1-4H3,(H,14,17)(H,15,16)/t10-,11-/m0/s1
InChIKeyJBGPNXWWVKIEDW-QWRGUYRKSA-N
MW240.35 g/mol
LogP1.45
Rot. Bonds5

About (3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione

(3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 134870366) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID134870366
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C13H24N2O2/c1-8(2)5-6-10-12(16)15-11(7-9(3)4)13(17)14-10/h8-11H,5-7H2,1-4H3,(H,14,17)(H,15,16)/t10-,11-/m0/s1
InChIKeyJBGPNXWWVKIEDW-QWRGUYRKSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of (3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione (CID 134870366) is (3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O.
What is the InChIKey of (3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is JBGPNXWWVKIEDW-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-8(2)5-6-10-12(16)15-11(7-9(3)4)13(17)14-10/h8-11H,5-7H2,1-4H3,(H,14,17)(H,15,16)/t10-,11-/m0/s1.
What are the key properties of (3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione?
(3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 134870366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).