2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

C19H30ClN3O — CID 46571303

IUPAC2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C19H30ClN3O/c1-5-19(3,4)21-18(24)14-22-10-12-23(13-11-22)15(2)16-8-6-7-9-17(16)20/h6-9,15H,5,10-14H2,1-4H3,(H,21,24)
InChIKeyDEXSNJYQWISBIF-UHFFFAOYSA-N
MW351.92 g/mol
LogP3.32
Rot. Bonds6

About 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 46571303) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID46571303
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC Name2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C19H30ClN3O/c1-5-19(3,4)21-18(24)14-22-10-12-23(13-11-22)15(2)16-8-6-7-9-17(16)20/h6-9,15H,5,10-14H2,1-4H3,(H,21,24)
InChIKeyDEXSNJYQWISBIF-UHFFFAOYSA-N
XLogP3.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-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-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 134010431
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 134060036
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435355
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 46571540
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46571515
N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide
CID 60537959
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55201592
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55565672
N-(2-methylbutan-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596502
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 46571303) is 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN1CCN(C(C)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is DEXSNJYQWISBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O/c1-5-19(3,4)21-18(24)14-22-10-12-23(13-11-22)15(2)16-8-6-7-9-17(16)20/h6-9,15H,5,10-14H2,1-4H3,(H,21,24).
What are the key properties of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 351.92 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 46571303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).