(3R,6S)-3,6-diphenylpiperazine-2,5-dione

C16H14N2O2 — CID 11323083

IUPAC(3R,6S)-3,6-diphenylpiperazine-2,5-dione
SMILESO=C1N[C@H](c2ccccc2)C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C16H14N2O2/c19-15-13(11-7-3-1-4-8-11)17-16(20)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,20)(H,18,19)/t13-,14+
InChIKeyBMGJGWGTAAJISM-OKILXGFUSA-N
MW266.30 g/mol
LogP1.72
Rot. Bonds2

About (3R,6S)-3,6-diphenylpiperazine-2,5-dione

(3R,6S)-3,6-diphenylpiperazine-2,5-dione (PubChem CID 11323083) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3R,6S)-3,6-diphenylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6S)-3,6-diphenylpiperazine-2,5-dione
PubChem CID11323083
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(3R,6S)-3,6-diphenylpiperazine-2,5-dione
SMILESO=C1N[C@H](c2ccccc2)C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C16H14N2O2/c19-15-13(11-7-3-1-4-8-11)17-16(20)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,20)(H,18,19)/t13-,14+
InChIKeyBMGJGWGTAAJISM-OKILXGFUSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.72
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-diphenylpiperazine-2,5-dione?
The IUPAC name of (3R,6S)-3,6-diphenylpiperazine-2,5-dione (CID 11323083) is (3R,6S)-3,6-diphenylpiperazine-2,5-dione.
What is the SMILES notation for (3R,6S)-3,6-diphenylpiperazine-2,5-dione?
The canonical SMILES for (3R,6S)-3,6-diphenylpiperazine-2,5-dione is O=C1N[C@H](c2ccccc2)C(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (3R,6S)-3,6-diphenylpiperazine-2,5-dione?
The InChIKey is BMGJGWGTAAJISM-OKILXGFUSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-13(11-7-3-1-4-8-11)17-16(20)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,20)(H,18,19)/t13-,14+.
What are the key properties of (3R,6S)-3,6-diphenylpiperazine-2,5-dione?
(3R,6S)-3,6-diphenylpiperazine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3,6-diphenylpiperazine-2,5-dione is sourced from PubChem (CID 11323083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).