1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione

C22H22N2O4 — CID 4680633

IUPAC1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
SMILESCC(=O)N1C(=O)C(Cc2ccccc2)N(C(C)=O)C(=O)C1Cc1ccccc1
InChIInChI=1S/C22H22N2O4/c1-15(25)23-19(13-17-9-5-3-6-10-17)22(28)24(16(2)26)20(21(23)27)14-18-11-7-4-8-12-18/h3-12,19-20H,13-14H2,1-2H3
InChIKeyCHUOLQZODKVFAI-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.97
Rot. Bonds4

About 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione

1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione (PubChem CID 4680633) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
PubChem CID4680633
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
SMILESCC(=O)N1C(=O)C(Cc2ccccc2)N(C(C)=O)C(=O)C1Cc1ccccc1
InChIInChI=1S/C22H22N2O4/c1-15(25)23-19(13-17-9-5-3-6-10-17)22(28)24(16(2)26)20(21(23)27)14-18-11-7-4-8-12-18/h3-12,19-20H,13-14H2,1-2H3
InChIKeyCHUOLQZODKVFAI-UHFFFAOYSA-N
XLogP1.97
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione?
The IUPAC name of 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione (CID 4680633) is 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione.
What is the SMILES notation for 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione?
The canonical SMILES for 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione is CC(=O)N1C(=O)C(Cc2ccccc2)N(C(C)=O)C(=O)C1Cc1ccccc1.
What is the InChIKey of 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione?
The InChIKey is CHUOLQZODKVFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15(25)23-19(13-17-9-5-3-6-10-17)22(28)24(16(2)26)20(21(23)27)14-18-11-7-4-8-12-18/h3-12,19-20H,13-14H2,1-2H3.
What are the key properties of 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione?
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione has a molecular weight of 378.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione is sourced from PubChem (CID 4680633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).