2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide

C15H22ClN3O2 — CID 63265704

IUPAC2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
SMILESCN(CCN1CCNCC1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-18(10-11-19-8-6-17-7-9-19)15(20)12-21-14-4-2-13(16)3-5-14/h2-5,17H,6-12H2,1H3
InChIKeyZCLJANULOSUAGE-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.08
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide

2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 63265704) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID63265704
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
SMILESCN(CCN1CCNCC1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-18(10-11-19-8-6-17-7-9-19)15(20)12-21-14-4-2-13(16)3-5-14/h2-5,17H,6-12H2,1H3
InChIKeyZCLJANULOSUAGE-UHFFFAOYSA-N
XLogP1.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454727
2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 110753601
2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63211324
2-(4-tert-butylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56508711
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79290860
1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine
CID 139639269
N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
CID 60937635
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide
CID 60944727
N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 63265575

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide (CID 63265704) is 2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide is CN(CCN1CCNCC1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is ZCLJANULOSUAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-18(10-11-19-8-6-17-7-9-19)15(20)12-21-14-4-2-13(16)3-5-14/h2-5,17H,6-12H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide?
2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 311.81 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 63265704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).