1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione

C17H24N2O2 — CID 12032341

IUPAC1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-12(2)10-14-15(20)18-17(3,4)16(21)19(14)11-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,18,20)
InChIKeyXNHJCIDQGANKHY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.34
Rot. Bonds4

About 1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione

1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 12032341) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID12032341
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-12(2)10-14-15(20)18-17(3,4)16(21)19(14)11-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,18,20)
InChIKeyXNHJCIDQGANKHY-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 12032341) is 1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1C(=O)NC(C)(C)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is XNHJCIDQGANKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)10-14-15(20)18-17(3,4)16(21)19(14)11-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,18,20).
What are the key properties of 1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione?
1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 12032341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).