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

C11H20N2O2 — CID 44566899

IUPAC(3R,6R)-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-/m1/s1
InChIKeyUPOUGDHEEGKEGS-RKDXNWHRSA-N
MW212.29 g/mol
LogP0.67
Rot. Bonds3

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

(3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 44566899) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID44566899
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3R,6R)-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-/m1/s1
InChIKeyUPOUGDHEEGKEGS-RKDXNWHRSA-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 (3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of (3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione (CID 44566899) is (3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3R,6R)-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 (3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is UPOUGDHEEGKEGS-RKDXNWHRSA-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-/m1/s1.
What are the key properties of (3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
(3R,6R)-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 (3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 44566899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).