N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide

C21H27N3O2 — CID 67414663

IUPACN-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide
SMILESCC(C)(C)N1CCN(c2ccc(NC(=O)c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)24-14-12-23(13-15-24)18-8-6-17(7-9-18)22-20(26)16-4-10-19(25)11-5-16/h4-11,25H,12-15H2,1-3H3,(H,22,26)
InChIKeySAWAJXMDWNFNFB-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.57
Rot. Bonds3

About N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide

N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide (PubChem CID 67414663) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide
PubChem CID67414663
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide
SMILESCC(C)(C)N1CCN(c2ccc(NC(=O)c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)24-14-12-23(13-15-24)18-8-6-17(7-9-18)22-20(26)16-4-10-19(25)11-5-16/h4-11,25H,12-15H2,1-3H3,(H,22,26)
InChIKeySAWAJXMDWNFNFB-UHFFFAOYSA-N
XLogP3.57
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
2-tert-butyl-4-[4-[(4-hydroxybenzoyl)amino]phenyl]piperazine-1-carboxylic acid
CID 67416135
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110355
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
3,4-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 113199321
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide?
The IUPAC name of N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide (CID 67414663) is N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide is CC(C)(C)N1CCN(c2ccc(NC(=O)c3ccc(O)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide?
The InChIKey is SAWAJXMDWNFNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2,3)24-14-12-23(13-15-24)18-8-6-17(7-9-18)22-20(26)16-4-10-19(25)11-5-16/h4-11,25H,12-15H2,1-3H3,(H,22,26).
What are the key properties of N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide?
N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide is sourced from PubChem (CID 67414663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).