1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione

C14H16N2O2 — CID 107898417

IUPAC1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione
SMILESC/C=C/CN1CC(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O2/c1-2-3-9-16-10-12(17)15-13(14(16)18)11-7-5-4-6-8-11/h2-8,13H,9-10H2,1H3,(H,15,17)/b3-2+
InChIKeyWJFSUQILQSXEJS-NSCUHMNNSA-N
MW244.29 g/mol
LogP1.26
Rot. Bonds3

About 1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione

1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione (PubChem CID 107898417) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione
PubChem CID107898417
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione
SMILESC/C=C/CN1CC(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O2/c1-2-3-9-16-10-12(17)15-13(14(16)18)11-7-5-4-6-8-11/h2-8,13H,9-10H2,1H3,(H,15,17)/b3-2+
InChIKeyWJFSUQILQSXEJS-NSCUHMNNSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
CID 64878640
3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963692
1-[(E)-but-2-enyl]-3-tert-butylpiperazine-2,5-dione
CID 107898423
1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 103142004
1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64963539
1-[(E)-but-2-enyl]-6-ethyl-6-methyl-3-phenylpiperazine-2,5-dione
CID 107898345
(3S)-1-ethyl-3-(4-hydroxyphenyl)piperazine-2,5-dione
CID 129498685
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 106409186
1-[(2-methylthiolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 80724055
1-pentan-3-yl-3-phenylpiperazine-2,5-dione
CID 64958214
1-[(5-bromothiophen-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64879769

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione (CID 107898417) is 1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione is C/C=C/CN1CC(=O)NC(c2ccccc2)C1=O.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione?
The InChIKey is WJFSUQILQSXEJS-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-3-9-16-10-12(17)15-13(14(16)18)11-7-5-4-6-8-11/h2-8,13H,9-10H2,1H3,(H,15,17)/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione?
1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 107898417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).