3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one

C15H22N2O — CID 134907528

IUPAC3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one
SMILESCCC1(C)NC(C)(C)CN(c2ccccc2)C1=O
InChIInChI=1S/C15H22N2O/c1-5-15(4)13(18)17(11-14(2,3)16-15)12-9-7-6-8-10-12/h6-10,16H,5,11H2,1-4H3
InChIKeyAETWDJBUNOWGNF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.57
Rot. Bonds2

About 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one

3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one (PubChem CID 134907528) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one
PubChem CID134907528
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one
SMILESCCC1(C)NC(C)(C)CN(c2ccccc2)C1=O
InChIInChI=1S/C15H22N2O/c1-5-15(4)13(18)17(11-14(2,3)16-15)12-9-7-6-8-10-12/h6-10,16H,5,11H2,1-4H3
InChIKeyAETWDJBUNOWGNF-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one?
The IUPAC name of 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one (CID 134907528) is 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one.
What is the SMILES notation for 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one?
The canonical SMILES for 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one is CCC1(C)NC(C)(C)CN(c2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one?
The InChIKey is AETWDJBUNOWGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-15(4)13(18)17(11-14(2,3)16-15)12-9-7-6-8-10-12/h6-10,16H,5,11H2,1-4H3.
What are the key properties of 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one?
3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one is sourced from PubChem (CID 134907528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).