2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

C23H26N4O3 — CID 137013176

IUPAC2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
SMILESC=CCc1cccc(C=NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O
InChIInChI=1S/C23H26N4O3/c1-2-7-18-10-6-11-20(22(18)29)16-24-25-21(28)17-26-12-14-27(15-13-26)23(30)19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17H2,(H,25,28)
InChIKeyLNFSLKOZYDBYJH-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.03
Rot. Bonds7

About 2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide (PubChem CID 137013176) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
PubChem CID137013176
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
SMILESC=CCc1cccc(C=NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O
InChIInChI=1S/C23H26N4O3/c1-2-7-18-10-6-11-20(22(18)29)16-24-25-21(28)17-26-12-14-27(15-13-26)23(30)19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17H2,(H,25,28)
InChIKeyLNFSLKOZYDBYJH-UHFFFAOYSA-N
XLogP2.03
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.03
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 137013171
N-[(E)-(2-hydroxy-3-propylphenyl)methylideneamino]-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 136952974
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 137048744
2-[4-[(4-aminosulfanylphenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 137084624
2-(4-benzoylpiperazin-1-yl)-N-[(5-fluoro-2-hydroxy-3-propylphenyl)methylideneamino]acetamide
CID 137013193
[3-[[4-[2-[2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]methyl]phenyl] formate
CID 137118023
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(2-hydroxy-3-propylphenyl)methylideneamino]acetamide
CID 137013199
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide;2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide;2-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide;2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 172933494
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 936942
2-(4-benzylpiperidin-1-yl)-N-[(E)-(3-ethyl-2-hydroxyphenyl)methylideneamino]acetamide
CID 137379899
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide (CID 137013176) is 2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide is C=CCc1cccc(C=NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The InChIKey is LNFSLKOZYDBYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-7-18-10-6-11-20(22(18)29)16-24-25-21(28)17-26-12-14-27(15-13-26)23(30)19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17H2,(H,25,28).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137013176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).