1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone

C17H24N2O2 — CID 78783485

IUPAC1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13(20)18-9-11-19(12-10-18)16(21)14-5-7-15(8-6-14)17(2,3)4/h5-8H,9-12H2,1-4H3
InChIKeyXSJAHWBDJAQBFD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.29
Rot. Bonds1

About 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone

1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 78783485) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
PubChem CID78783485
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13(20)18-9-11-19(12-10-18)16(21)14-5-7-15(8-6-14)17(2,3)4/h5-8H,9-12H2,1-4H3
InChIKeyXSJAHWBDJAQBFD-UHFFFAOYSA-N
XLogP2.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121450349
1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone
CID 159764673
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
CID 88873532
(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 113072939
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone (CID 78783485) is 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is XSJAHWBDJAQBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(20)18-9-11-19(12-10-18)16(21)14-5-7-15(8-6-14)17(2,3)4/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone?
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 78783485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).