4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one

C13H22N2O2 — CID 155151416

IUPAC4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one
SMILESC=CCC1C(=O)N(C(C)(C)C)CCN1C(C)=O
InChIInChI=1S/C13H22N2O2/c1-6-7-11-12(17)15(13(3,4)5)9-8-14(11)10(2)16/h6,11H,1,7-9H2,2-5H3
InChIKeyFGVBCOIFXVUXIZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.42
Rot. Bonds2

About 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one

4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one (PubChem CID 155151416) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one
PubChem CID155151416
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one
SMILESC=CCC1C(=O)N(C(C)(C)C)CCN1C(C)=O
InChIInChI=1S/C13H22N2O2/c1-6-7-11-12(17)15(13(3,4)5)9-8-14(11)10(2)16/h6,11H,1,7-9H2,2-5H3
InChIKeyFGVBCOIFXVUXIZ-UHFFFAOYSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-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 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one?
The IUPAC name of 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one (CID 155151416) is 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one.
What is the SMILES notation for 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one?
The canonical SMILES for 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one is C=CCC1C(=O)N(C(C)(C)C)CCN1C(C)=O.
What is the InChIKey of 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one?
The InChIKey is FGVBCOIFXVUXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-7-11-12(17)15(13(3,4)5)9-8-14(11)10(2)16/h6,11H,1,7-9H2,2-5H3.
What are the key properties of 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one?
4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-tert-butyl-3-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 155151416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).