N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C25H27N3O2 — CID 59627322

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)CC1
InChIInChI=1S/C25H27N3O2/c1-27-13-15-28(16-14-27)18-19-7-9-21(10-8-19)25(30)26-23-17-22(11-12-24(23)29)20-5-3-2-4-6-20/h2-12,17,29H,13-16,18H2,1H3,(H,26,30)
InChIKeyOBBSJJGVJVLEEI-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.06
Rot. Bonds5

About N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 59627322) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID59627322
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)CC1
InChIInChI=1S/C25H27N3O2/c1-27-13-15-28(16-14-27)18-19-7-9-21(10-8-19)25(30)26-23-17-22(11-12-24(23)29)20-5-3-2-4-6-20/h2-12,17,29H,13-16,18H2,1H3,(H,26,30)
InChIKeyOBBSJJGVJVLEEI-UHFFFAOYSA-N
XLogP4.06
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 25155163
2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzoyl]amino]phenyl]acetic acid
CID 138811017
2-[[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoic acid
CID 58508844
2-[[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoic acid;methanesulfonic acid
CID 87227174
N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide
CID 25159050
4-fluoro-N-[3-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524357
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
methyl 4-(4-benzylpiperazin-1-yl)-3-[(4-phenylbenzoyl)amino]benzoate;hydrochloride
CID 163326563
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 58508690
N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119420648
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 59627322) is N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)CC1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is OBBSJJGVJVLEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27-13-15-28(16-14-27)18-19-7-9-21(10-8-19)25(30)26-23-17-22(11-12-24(23)29)20-5-3-2-4-6-20/h2-12,17,29H,13-16,18H2,1H3,(H,26,30).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 59627322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).