6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione

C17H24N2O2 — CID 64970537

IUPAC6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)N(C(C)Cc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-11(2)15-17(21)19(13(4)16(20)18-15)12(3)10-14-8-6-5-7-9-14/h5-9,11-13,15H,10H2,1-4H3,(H,18,20)
InChIKeyQLUFLUPABCWLNC-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds4

About 6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione

6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64970537) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64970537
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)N(C(C)Cc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-11(2)15-17(21)19(13(4)16(20)18-15)12(3)10-14-8-6-5-7-9-14/h5-9,11-13,15H,10H2,1-4H3,(H,18,20)
InChIKeyQLUFLUPABCWLNC-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione (CID 64970537) is 6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)C(C)N(C(C)Cc2ccccc2)C1=O.
What is the InChIKey of 6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is QLUFLUPABCWLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)15-17(21)19(13(4)16(20)18-15)12(3)10-14-8-6-5-7-9-14/h5-9,11-13,15H,10H2,1-4H3,(H,18,20).
What are the key properties of 6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64970537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).