1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione

C20H22N2O4 — CID 14762483

IUPAC1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione
SMILESCOC1C(=O)N(Cc2ccccc2)C(OC)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H22N2O4/c1-25-19-17(23)22(14-16-11-7-4-8-12-16)20(26-2)18(24)21(19)13-15-9-5-3-6-10-15/h3-12,19-20H,13-14H2,1-2H3
InChIKeyVTZXWMFVBXSSSE-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.00
Rot. Bonds6

About 1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione

1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione (PubChem CID 14762483) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione.

Molecular Properties

Compound Name1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione
PubChem CID14762483
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione
SMILESCOC1C(=O)N(Cc2ccccc2)C(OC)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H22N2O4/c1-25-19-17(23)22(14-16-11-7-4-8-12-16)20(26-2)18(24)21(19)13-15-9-5-3-6-10-15/h3-12,19-20H,13-14H2,1-2H3
InChIKeyVTZXWMFVBXSSSE-UHFFFAOYSA-N
XLogP2.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione?
The IUPAC name of 1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione (CID 14762483) is 1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione.
What is the SMILES notation for 1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione?
The canonical SMILES for 1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione is COC1C(=O)N(Cc2ccccc2)C(OC)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione?
The InChIKey is VTZXWMFVBXSSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-19-17(23)22(14-16-11-7-4-8-12-16)20(26-2)18(24)21(19)13-15-9-5-3-6-10-15/h3-12,19-20H,13-14H2,1-2H3.
What are the key properties of 1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione?
1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione has a molecular weight of 354.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-3,6-dimethoxypiperazine-2,5-dione is sourced from PubChem (CID 14762483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).