(3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione

C11H20N2O2 — CID 25220884

IUPAC(3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C11H20N2O2/c1-6(2)5-8-10(14)13-9(7(3)4)11(15)12-8/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1
InChIKeyUPOUGDHEEGKEGS-IUCAKERBSA-N
MW212.29 g/mol
LogP0.67
Rot. Bonds3

About (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione

(3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 25220884) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID25220884
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C11H20N2O2/c1-6(2)5-8-10(14)13-9(7(3)4)11(15)12-8/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1
InChIKeyUPOUGDHEEGKEGS-IUCAKERBSA-N
XLogP0.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione (CID 25220884) is (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC1=O.
What is the InChIKey of (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is UPOUGDHEEGKEGS-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6(2)5-8-10(14)13-9(7(3)4)11(15)12-8/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1.
What are the key properties of (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
(3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 25220884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).