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

C16H24ClN3O — CID 134010431

IUPAC2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-18-16(21)12-19-8-10-20(11-9-19)13(2)14-6-4-5-7-15(14)17/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyMUNCJMHHVHXOFF-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.15
Rot. Bonds5

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

2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 134010431) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID134010431
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-18-16(21)12-19-8-10-20(11-9-19)13(2)14-6-4-5-7-15(14)17/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyMUNCJMHHVHXOFF-UHFFFAOYSA-N
XLogP2.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 46571303
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
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55565672
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
[1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate
CID 90971146
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
2-[4-[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8598532
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide
CID 55738308
N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide
CID 60537959

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide (CID 134010431) is 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(C)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is MUNCJMHHVHXOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-18-16(21)12-19-8-10-20(11-9-19)13(2)14-6-4-5-7-15(14)17/h4-7,13H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 309.84 g/mol, XLogP of 2.15, 5 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-ethylacetamide is sourced from PubChem (CID 134010431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).