2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

C21H34N3O2+ — CID 8597441

IUPAC2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-20(2,3)16-21(4,5)22-18(25)15-23-11-13-24(14-12-23)19(26)17-9-7-6-8-10-17/h6-10H,11-16H2,1-5H3,(H,22,25)/p+1
InChIKeyDBEVEIBCVZGTOG-UHFFFAOYSA-O
MW360.52 g/mol
LogP1.36
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 8597441) has the molecular formula C21H34N3O2+ and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID8597441
Molecular FormulaC21H34N3O2+
Molecular Weight360.52 g/mol
Exact Mass360.26
IUPAC Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-20(2,3)16-21(4,5)22-18(25)15-23-11-13-24(14-12-23)19(26)17-9-7-6-8-10-17/h6-10H,11-16H2,1-5H3,(H,22,25)/p+1
InChIKeyDBEVEIBCVZGTOG-UHFFFAOYSA-O
XLogP1.36
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide 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

2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8692768
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 9223695
N-tert-butyl-2-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide
CID 9078754
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9223403
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 9223633
(2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide
CID 8597347
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 9223547
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8597391
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 9223401
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 9223461

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 8597441) is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(C)(C)CC(C)(C)NC(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is DBEVEIBCVZGTOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H33N3O2/c1-20(2,3)16-21(4,5)22-18(25)15-23-11-13-24(14-12-23)19(26)17-9-7-6-8-10-17/h6-10H,11-16H2,1-5H3,(H,22,25)/p+1.
What are the key properties of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 360.52 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 8597441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).