(3S)-3-benzylpiperazine-2,5-dione

C11H12N2O2 — CID 7076549

IUPAC(3S)-3-benzylpiperazine-2,5-dione
SMILESO=C1CNC(=O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyUZOJHXFWJFSFAI-VIFPVBQESA-N
MW204.23 g/mol
LogP-0.16
Rot. Bonds2

About (3S)-3-benzylpiperazine-2,5-dione

(3S)-3-benzylpiperazine-2,5-dione (PubChem CID 7076549) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3S)-3-benzylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-benzylpiperazine-2,5-dione
PubChem CID7076549
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(3S)-3-benzylpiperazine-2,5-dione
SMILESO=C1CNC(=O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyUZOJHXFWJFSFAI-VIFPVBQESA-N
XLogP-0.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzylpiperazine-2,5-dione?
The IUPAC name of (3S)-3-benzylpiperazine-2,5-dione (CID 7076549) is (3S)-3-benzylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-3-benzylpiperazine-2,5-dione?
The canonical SMILES for (3S)-3-benzylpiperazine-2,5-dione is O=C1CNC(=O)[C@H](Cc2ccccc2)N1.
What is the InChIKey of (3S)-3-benzylpiperazine-2,5-dione?
The InChIKey is UZOJHXFWJFSFAI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)/t9-/m0/s1.
What are the key properties of (3S)-3-benzylpiperazine-2,5-dione?
(3S)-3-benzylpiperazine-2,5-dione has a molecular weight of 204.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzylpiperazine-2,5-dione is sourced from PubChem (CID 7076549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).