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

C15H20N2O2 — CID 7076347

IUPAC(3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1
InChIKeyQPDMOMIYLJMOQJ-STQMWFEESA-N
MW260.34 g/mol
LogP1.26
Rot. Bonds4

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

(3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 7076347) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID7076347
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1
InChIKeyQPDMOMIYLJMOQJ-STQMWFEESA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 7076347) is (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O.
What is the InChIKey of (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is QPDMOMIYLJMOQJ-STQMWFEESA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1.
What are the key properties of (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione?
(3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 7076347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).