3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione

C17H24N2O2 — CID 64878876

IUPAC3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(c2ccccc2)C(=O)N1C(C)C
InChIInChI=1S/C17H24N2O2/c1-11(2)14-15(20)18-17(5,13-9-7-6-8-10-13)16(21)19(14)12(3)4/h6-12,14H,1-5H3,(H,18,20)
InChIKeyYNHVZOCBSSIENO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.29
Rot. Bonds3

About 3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione

3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 64878876) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID64878876
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(c2ccccc2)C(=O)N1C(C)C
InChIInChI=1S/C17H24N2O2/c1-11(2)14-15(20)18-17(5,13-9-7-6-8-10-13)16(21)19(14)12(3)4/h6-12,14H,1-5H3,(H,18,20)
InChIKeyYNHVZOCBSSIENO-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione (CID 64878876) is 3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione is CC(C)C1C(=O)NC(C)(c2ccccc2)C(=O)N1C(C)C.
What is the InChIKey of 3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is YNHVZOCBSSIENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)14-15(20)18-17(5,13-9-7-6-8-10-13)16(21)19(14)12(3)4/h6-12,14H,1-5H3,(H,18,20).
What are the key properties of 3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione?
3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64878876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).