4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide

C22H27N3O3 — CID 44564914

IUPAC4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide
SMILESCC(C)(C)C(=O)N1CCN(c2ccc(C(=O)Nc3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)21(28)25-14-12-24(13-15-25)18-8-4-16(5-9-18)20(27)23-17-6-10-19(26)11-7-17/h4-11,26H,12-15H2,1-3H3,(H,23,27)
InChIKeyNREMXUJFDHNRPQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.34
Rot. Bonds3

About 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide

4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide (PubChem CID 44564914) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide
PubChem CID44564914
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide
SMILESCC(C)(C)C(=O)N1CCN(c2ccc(C(=O)Nc3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)21(28)25-14-12-24(13-15-25)18-8-4-16(5-9-18)20(27)23-17-6-10-19(26)11-7-17/h4-11,26H,12-15H2,1-3H3,(H,23,27)
InChIKeyNREMXUJFDHNRPQ-UHFFFAOYSA-N
XLogP3.34
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide (CID 44564914) is 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide is CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)Nc3ccc(O)cc3)cc2)CC1.
What is the InChIKey of 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide?
The InChIKey is NREMXUJFDHNRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,3)21(28)25-14-12-24(13-15-25)18-8-4-16(5-9-18)20(27)23-17-6-10-19(26)11-7-17/h4-11,26H,12-15H2,1-3H3,(H,23,27).
What are the key properties of 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide?
4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 44564914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).