5-ethyl-3-phenylpiperazin-2-one

C12H16N2O — CID 82396570

IUPAC5-ethyl-3-phenylpiperazin-2-one
SMILESCCC1CNC(=O)C(c2ccccc2)N1
InChIInChI=1S/C12H16N2O/c1-2-10-8-13-12(15)11(14-10)9-6-4-3-5-7-9/h3-7,10-11,14H,2,8H2,1H3,(H,13,15)
InChIKeyOOACNDRQBZTVSR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.23
Rot. Bonds2

About 5-ethyl-3-phenylpiperazin-2-one

5-ethyl-3-phenylpiperazin-2-one (PubChem CID 82396570) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-ethyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name5-ethyl-3-phenylpiperazin-2-one
PubChem CID82396570
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-ethyl-3-phenylpiperazin-2-one
SMILESCCC1CNC(=O)C(c2ccccc2)N1
InChIInChI=1S/C12H16N2O/c1-2-10-8-13-12(15)11(14-10)9-6-4-3-5-7-9/h3-7,10-11,14H,2,8H2,1H3,(H,13,15)
InChIKeyOOACNDRQBZTVSR-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenylpiperazin-2-one?
The IUPAC name of 5-ethyl-3-phenylpiperazin-2-one (CID 82396570) is 5-ethyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 5-ethyl-3-phenylpiperazin-2-one?
The canonical SMILES for 5-ethyl-3-phenylpiperazin-2-one is CCC1CNC(=O)C(c2ccccc2)N1.
What is the InChIKey of 5-ethyl-3-phenylpiperazin-2-one?
The InChIKey is OOACNDRQBZTVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-10-8-13-12(15)11(14-10)9-6-4-3-5-7-9/h3-7,10-11,14H,2,8H2,1H3,(H,13,15).
What are the key properties of 5-ethyl-3-phenylpiperazin-2-one?
5-ethyl-3-phenylpiperazin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 82396570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).