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

C17H25N3O3 — CID 2682322

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-14(21)15-3-5-16(6-4-15)20-10-8-19(9-11-20)13-17(22)18-7-12-23-2/h3-6H,7-13H2,1-2H3,(H,18,22)
InChIKeyJTEXVDDDDKCJEY-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.77
Rot. Bonds7

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

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 2682322) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID2682322
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-14(21)15-3-5-16(6-4-15)20-10-8-19(9-11-20)13-17(22)18-7-12-23-2/h3-6H,7-13H2,1-2H3,(H,18,22)
InChIKeyJTEXVDDDDKCJEY-UHFFFAOYSA-N
XLogP0.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8591460
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
2-acetamido-5-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 50782268
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
N-(2-methoxyethyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8541485
N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide
CID 26596996
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 2682322) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is JTEXVDDDDKCJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-14(21)15-3-5-16(6-4-15)20-10-8-19(9-11-20)13-17(22)18-7-12-23-2/h3-6H,7-13H2,1-2H3,(H,18,22).
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2682322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).