2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide

C15H21ClN4O2 — CID 8529745

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN4O2/c1-2-17-15(22)18-14(21)11-19-6-8-20(9-7-19)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3,(H2,17,18,21,22)
InChIKeyCEYSRVDMRGFIDW-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.31
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide (PubChem CID 8529745) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
PubChem CID8529745
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN4O2/c1-2-17-15(22)18-14(21)11-19-6-8-20(9-7-19)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3,(H2,17,18,21,22)
InChIKeyCEYSRVDMRGFIDW-UHFFFAOYSA-N
XLogP1.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8529938
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8530111
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
N-(ethylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150301
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8530025

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide (CID 8529745) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is CEYSRVDMRGFIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-2-17-15(22)18-14(21)11-19-6-8-20(9-7-19)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3,(H2,17,18,21,22).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 324.81 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 8529745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).