1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione

C19H20N2O2 — CID 64879640

IUPAC1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C)(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14-17(22)20-19(2,16-11-7-4-8-12-16)18(23)21(14)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,20,22)
InChIKeyKRXVYEQELPIIPA-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.45
Rot. Bonds3

About 1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione

1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione (PubChem CID 64879640) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
PubChem CID64879640
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C)(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14-17(22)20-19(2,16-11-7-4-8-12-16)18(23)21(14)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,20,22)
InChIKeyKRXVYEQELPIIPA-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione (CID 64879640) is 1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione is CC1C(=O)NC(C)(c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione?
The InChIKey is KRXVYEQELPIIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-17(22)20-19(2,16-11-7-4-8-12-16)18(23)21(14)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,20,22).
What are the key properties of 1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione?
1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64879640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).