1-phenyl-6-propan-2-ylpiperazine-2,5-dione

C13H16N2O2 — CID 64958790

IUPAC1-phenyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-9(2)12-13(17)14-8-11(16)15(12)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,17)
InChIKeyKHAWCLVBOINMDV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.17
Rot. Bonds2

About 1-phenyl-6-propan-2-ylpiperazine-2,5-dione

1-phenyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64958790) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-phenyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-phenyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64958790
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-phenyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-9(2)12-13(17)14-8-11(16)15(12)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,17)
InChIKeyKHAWCLVBOINMDV-UHFFFAOYSA-N
XLogP1.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64961530
1-(4-chloro-3-methoxyphenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107623442
1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967274
1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880254
1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64962250
1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64957110
1-(4-methylphenyl)-6-phenylpiperazine-2,5-dione
CID 64959343
1-(4-bromo-2,5-difluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107608195
6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64880056
1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968809
2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
CID 561921
1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880063

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-phenyl-6-propan-2-ylpiperazine-2,5-dione (CID 64958790) is 1-phenyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-phenyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-phenyl-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1c1ccccc1.
What is the InChIKey of 1-phenyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is KHAWCLVBOINMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)12-13(17)14-8-11(16)15(12)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,17).
What are the key properties of 1-phenyl-6-propan-2-ylpiperazine-2,5-dione?
1-phenyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64958790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).