ethane;4-phenylpiperazine-2,6-dione

C12H16N2O2 — CID 142623304

IUPACethane;4-phenylpiperazine-2,6-dione
SMILESCC.O=C1CN(c2ccccc2)CC(=O)N1
InChIInChI=1S/C10H10N2O2.C2H6/c13-9-6-12(7-10(14)11-9)8-4-2-1-3-5-8;1-2/h1-5H,6-7H2,(H,11,13,14);1-2H3
InChIKeyFQHVRQNHLQIXKQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.18
Rot. Bonds1

About ethane;4-phenylpiperazine-2,6-dione

ethane;4-phenylpiperazine-2,6-dione (PubChem CID 142623304) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethane;4-phenylpiperazine-2,6-dione.

Molecular Properties

Compound Nameethane;4-phenylpiperazine-2,6-dione
PubChem CID142623304
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethane;4-phenylpiperazine-2,6-dione
SMILESCC.O=C1CN(c2ccccc2)CC(=O)N1
InChIInChI=1S/C10H10N2O2.C2H6/c13-9-6-12(7-10(14)11-9)8-4-2-1-3-5-8;1-2/h1-5H,6-7H2,(H,11,13,14);1-2H3
InChIKeyFQHVRQNHLQIXKQ-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
2-[4-(3,5-dioxopiperazin-1-yl)phenyl]-2-oxoacetic acid
CID 117409635
4-(4-ethoxyphenyl)piperazine-2,6-dione
CID 63789608
potassium;hydride;1-phenylimidazolidine-2,4-dione
CID 173461566
4-[4-(3-hydroxypropyl)phenyl]piperazine-2,6-dione
CID 117373491
4-(2,3-dimethylphenyl)piperazine-2,6-dione
CID 63787849
4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione
CID 117375786
3,4-diphenylpiperazine-2,6-dione
CID 73346350
3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 106821036
4-(2-chloroquinazolin-4-yl)piperazine-2,6-dione
CID 66063785
4-(1-phenylpropan-2-yl)piperazine-2,6-dione
CID 63788386

Frequently Asked Questions

What is the IUPAC name of ethane;4-phenylpiperazine-2,6-dione?
The IUPAC name of ethane;4-phenylpiperazine-2,6-dione (CID 142623304) is ethane;4-phenylpiperazine-2,6-dione.
What is the SMILES notation for ethane;4-phenylpiperazine-2,6-dione?
The canonical SMILES for ethane;4-phenylpiperazine-2,6-dione is CC.O=C1CN(c2ccccc2)CC(=O)N1.
What is the InChIKey of ethane;4-phenylpiperazine-2,6-dione?
The InChIKey is FQHVRQNHLQIXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C2H6/c13-9-6-12(7-10(14)11-9)8-4-2-1-3-5-8;1-2/h1-5H,6-7H2,(H,11,13,14);1-2H3.
What are the key properties of ethane;4-phenylpiperazine-2,6-dione?
ethane;4-phenylpiperazine-2,6-dione has a molecular weight of 220.27 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenylpiperazine-2,6-dione is sourced from PubChem (CID 142623304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).