4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide

C19H23N4O3+ — CID 2697707

IUPAC4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C19H22N4O3/c20-19(26)14-5-7-15(8-6-14)21-18(25)13-22-9-11-23(12-10-22)16-3-1-2-4-17(16)24/h1-8,24H,9-13H2,(H2,20,26)(H,21,25)/p+1
InChIKeyZZWXRDKLQXEBLO-UHFFFAOYSA-O
MW355.42 g/mol
LogP-0.17
Rot. Bonds5

About 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide

4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide (PubChem CID 2697707) has the molecular formula C19H23N4O3+ and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
PubChem CID2697707
Molecular FormulaC19H23N4O3+
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C19H22N4O3/c20-19(26)14-5-7-15(8-6-14)21-18(25)13-22-9-11-23(12-10-22)16-3-1-2-4-17(16)24/h1-8,24H,9-13H2,(H2,20,26)(H,21,25)/p+1
InChIKeyZZWXRDKLQXEBLO-UHFFFAOYSA-O
XLogP-0.17
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8529311
propan-2-yl 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8529003
N-[4-[(2R)-butan-2-yl]phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2654815
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
CID 4296629
propyl 4-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8725016
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2508369
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
CID 8528279
N-[(2S)-butan-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8529545
N-[(2R)-butan-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8529542
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-pentan-3-ylacetamide
CID 8529566
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8726217

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide (CID 2697707) is 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide?
The InChIKey is ZZWXRDKLQXEBLO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O3/c20-19(26)14-5-7-15(8-6-14)21-18(25)13-22-9-11-23(12-10-22)16-3-1-2-4-17(16)24/h1-8,24H,9-13H2,(H2,20,26)(H,21,25)/p+1.
What are the key properties of 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide?
4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide has a molecular weight of 355.42 g/mol, XLogP of -0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 2697707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).