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

C15H22ClN3O2 — CID 46056186

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-21-11-6-17-15(20)12-18-7-9-19(10-8-18)14-4-2-13(16)3-5-14/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyPZJHHBSRSIRXQH-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.22
Rot. Bonds6

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 46056186) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID46056186
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-21-11-6-17-15(20)12-18-7-9-19(10-8-18)14-4-2-13(16)3-5-14/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyPZJHHBSRSIRXQH-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 28507598
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 2682322
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037054
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 83284147
2-[(4-chlorobenzoyl)amino]-5-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 50781865
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 31001529
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
5-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 50780906

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 46056186) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is PZJHHBSRSIRXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-21-11-6-17-15(20)12-18-7-9-19(10-8-18)14-4-2-13(16)3-5-14/h2-5H,6-12H2,1H3,(H,17,20).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 311.81 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 46056186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).