2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide

C20H25N3O2 — CID 25118358

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccc1O
InChIInChI=1S/C20H25N3O2/c24-19-9-5-4-8-18(19)14-21-20(25)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,24H,10-16H2,(H,21,25)
InChIKeyUCCVUGOGTFONCL-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.83
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide (PubChem CID 25118358) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide
PubChem CID25118358
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccc1O
InChIInChI=1S/C20H25N3O2/c24-19-9-5-4-8-18(19)14-21-20(25)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,24H,10-16H2,(H,21,25)
InChIKeyUCCVUGOGTFONCL-UHFFFAOYSA-N
XLogP1.83
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide (CID 25118358) is 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccc1O.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide?
The InChIKey is UCCVUGOGTFONCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19-9-5-4-8-18(19)14-21-20(25)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,24H,10-16H2,(H,21,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 25118358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).