1,4-bis(4-methylphenyl)piperazine-2,5-dione

C18H18N2O2 — CID 576878

IUPAC1,4-bis(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(N2CC(=O)N(c3ccc(C)cc3)CC2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-7-15(8-4-13)19-11-18(22)20(12-17(19)21)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyMSDGXGKXTBIVPD-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.68
Rot. Bonds2

About 1,4-bis(4-methylphenyl)piperazine-2,5-dione

1,4-bis(4-methylphenyl)piperazine-2,5-dione (PubChem CID 576878) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)piperazine-2,5-dione
PubChem CID576878
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1,4-bis(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(N2CC(=O)N(c3ccc(C)cc3)CC2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-7-15(8-4-13)19-11-18(22)20(12-17(19)21)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyMSDGXGKXTBIVPD-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 1,4-bis(4-methylphenyl)piperazine-2,5-dione (CID 576878) is 1,4-bis(4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis(4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 1,4-bis(4-methylphenyl)piperazine-2,5-dione is Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)CC2=O)cc1.
What is the InChIKey of 1,4-bis(4-methylphenyl)piperazine-2,5-dione?
The InChIKey is MSDGXGKXTBIVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-3-7-15(8-4-13)19-11-18(22)20(12-17(19)21)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 1,4-bis(4-methylphenyl)piperazine-2,5-dione?
1,4-bis(4-methylphenyl)piperazine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 576878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).