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

C15H24N4O2 — CID 28507598

IUPAC2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N4O2/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,6-12,16H2,1H3,(H,17,20)
InChIKeyPAGWFIHJOHWTQR-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.15
Rot. Bonds6

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

2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 28507598) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID28507598
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N4O2/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,6-12,16H2,1H3,(H,17,20)
InChIKeyPAGWFIHJOHWTQR-UHFFFAOYSA-N
XLogP0.15
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 2682322
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 120640503
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
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
methyl 4-(4-aminophenyl)piperazine-1-carboxylate
CID 43461605
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
2-acetamido-5-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 50782268
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 28507598) is 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(c2ccc(N)cc2)CC1.
What is the InChIKey of 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is PAGWFIHJOHWTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/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,6-12,16H2,1H3,(H,17,20).
What are the key properties of 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 28507598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).