2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide

C20H23FN4O2 — CID 137013189

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NN=Cc1cc(F)ccc1O
InChIInChI=1S/C20H23FN4O2/c21-18-6-7-19(26)17(12-18)13-22-23-20(27)15-25-10-8-24(9-11-25)14-16-4-2-1-3-5-16/h1-7,12-13,26H,8-11,14-15H2,(H,23,27)
InChIKeyVLSQAJSZDUUXMQ-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.80
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 137013189) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID137013189
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NN=Cc1cc(F)ccc1O
InChIInChI=1S/C20H23FN4O2/c21-18-6-7-19(26)17(12-18)13-22-23-20(27)15-25-10-8-24(9-11-25)14-16-4-2-1-3-5-16/h1-7,12-13,26H,8-11,14-15H2,(H,23,27)
InChIKeyVLSQAJSZDUUXMQ-UHFFFAOYSA-N
XLogP1.80
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide (CID 137013189) is 2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NN=Cc1cc(F)ccc1O.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is VLSQAJSZDUUXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-18-6-7-19(26)17(12-18)13-22-23-20(27)15-25-10-8-24(9-11-25)14-16-4-2-1-3-5-16/h1-7,12-13,26H,8-11,14-15H2,(H,23,27).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 370.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137013189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).