N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide

C20H25N3O2 — CID 86783956

IUPACN-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1cccc(O)c1NC(=O)c1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-15-5-3-8-18(24)19(15)21-20(25)17-7-4-6-16(13-17)14-23-11-9-22(2)10-12-23/h3-8,13,24H,9-12,14H2,1-2H3,(H,21,25)
InChIKeyVDFUZCLWRCCFCK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.70
Rot. Bonds4

About N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide

N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 86783956) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID86783956
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1cccc(O)c1NC(=O)c1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-15-5-3-8-18(24)19(15)21-20(25)17-7-4-6-16(13-17)14-23-11-9-22(2)10-12-23/h3-8,13,24H,9-12,14H2,1-2H3,(H,21,25)
InChIKeyVDFUZCLWRCCFCK-UHFFFAOYSA-N
XLogP2.70
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.70
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

1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid
CID 175015464
2,6-dichloro-N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 18422103
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methyl-4-pyridinyl)benzamide
CID 71984262
3-[3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120613822
3-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoic acid
CID 122028519
N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95131755
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 43923749
3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 43923750
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 86783956) is N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide is Cc1cccc(O)c1NC(=O)c1cccc(CN2CCN(C)CC2)c1.
What is the InChIKey of N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is VDFUZCLWRCCFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-5-3-8-18(24)19(15)21-20(25)17-7-4-6-16(13-17)14-23-11-9-22(2)10-12-23/h3-8,13,24H,9-12,14H2,1-2H3,(H,21,25).
What are the key properties of N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 86783956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).