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

C12H22N2O2 — CID 23278156

IUPAC(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC1=O
InChIInChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10+
InChIKeyXWYXUMDVQIOAPR-AOOOYVTPSA-N
MW226.32 g/mol
LogP1.06
Rot. Bonds4

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

(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione (PubChem CID 23278156) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
PubChem CID23278156
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC1=O
InChIInChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10+
InChIKeyXWYXUMDVQIOAPR-AOOOYVTPSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of (3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione (CID 23278156) is (3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for (3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for (3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione is CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC1=O.
What is the InChIKey of (3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is XWYXUMDVQIOAPR-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10+.
What are the key properties of (3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 23278156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).