2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide

C16H23Cl2N3O — CID 83977846

IUPAC2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide
SMILESCCN(CC)C(=O)C(c1c(Cl)cccc1Cl)N1CCNCC1
InChIInChI=1S/C16H23Cl2N3O/c1-3-20(4-2)16(22)15(21-10-8-19-9-11-21)14-12(17)6-5-7-13(14)18/h5-7,15,19H,3-4,8-11H2,1-2H3
InChIKeyATQMDSVTJYKCRQ-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.81
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide

2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide (PubChem CID 83977846) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide
PubChem CID83977846
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC Name2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide
SMILESCCN(CC)C(=O)C(c1c(Cl)cccc1Cl)N1CCNCC1
InChIInChI=1S/C16H23Cl2N3O/c1-3-20(4-2)16(22)15(21-10-8-19-9-11-21)14-12(17)6-5-7-13(14)18/h5-7,15,19H,3-4,8-11H2,1-2H3
InChIKeyATQMDSVTJYKCRQ-UHFFFAOYSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide
CID 83978321
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
CID 55048250
4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10786358
1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine
CID 171162697
(2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol
CID 171174513
2-chloro-6-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171277444
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55387320
ethyl 2-(3-bromo-4-chlorophenyl)-2-piperazin-1-ylacetate
CID 83230459
ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894698
N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
CID 10618862
1-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171163132
1-[(1R)-2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]piperazine
CID 171284986

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide (CID 83977846) is 2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide is CCN(CC)C(=O)C(c1c(Cl)cccc1Cl)N1CCNCC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide?
The InChIKey is ATQMDSVTJYKCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O/c1-3-20(4-2)16(22)15(21-10-8-19-9-11-21)14-12(17)6-5-7-13(14)18/h5-7,15,19H,3-4,8-11H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide?
2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide has a molecular weight of 344.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide is sourced from PubChem (CID 83977846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).