1,4-dibenzylpiperazine-2,5-dione

C18H18N2O2 — CID 682107

IUPAC1,4-dibenzylpiperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)CN1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17-14-20(12-16-9-5-2-6-10-16)18(22)13-19(17)11-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeyIQRPFFBYORNALN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.06
Rot. Bonds4

About 1,4-dibenzylpiperazine-2,5-dione

1,4-dibenzylpiperazine-2,5-dione (PubChem CID 682107) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1,4-dibenzylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,4-dibenzylpiperazine-2,5-dione
PubChem CID682107
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1,4-dibenzylpiperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)CN1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17-14-20(12-16-9-5-2-6-10-16)18(22)13-19(17)11-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeyIQRPFFBYORNALN-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Epsiprantel
CID 72026
1,4-Dibenzylpiperazine
CID 200601
N,N'-dibenzoylpiperazine
CID 80185
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
Acetamide, N,N-bis(phenylmethyl)-
CID 82657
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
1-Benzyl-4-carbamoyl-4-piperidinopiperidine
CID 74480
N,N'-Dibenzyloxamide
CID 219253
1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one
CID 5216003
4-Benzylpiperazine-2,6-dione
CID 560967

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzylpiperazine-2,5-dione?
The IUPAC name of 1,4-dibenzylpiperazine-2,5-dione (CID 682107) is 1,4-dibenzylpiperazine-2,5-dione.
What is the SMILES notation for 1,4-dibenzylpiperazine-2,5-dione?
The canonical SMILES for 1,4-dibenzylpiperazine-2,5-dione is O=C1CN(Cc2ccccc2)C(=O)CN1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzylpiperazine-2,5-dione?
The InChIKey is IQRPFFBYORNALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17-14-20(12-16-9-5-2-6-10-16)18(22)13-19(17)11-15-7-3-1-4-8-15/h1-10H,11-14H2.
What are the key properties of 1,4-dibenzylpiperazine-2,5-dione?
1,4-dibenzylpiperazine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzylpiperazine-2,5-dione is sourced from PubChem (CID 682107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).