3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C20H25N3O2 — CID 834145

IUPAC3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H25N3O2/c1-3-25-19-6-4-5-16(15-19)20(24)21-17-7-9-18(10-8-17)23-13-11-22(2)12-14-23/h4-10,15H,3,11-14H2,1-2H3,(H,21,24)
InChIKeyIIKNYFYCJFRNPU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.09
Rot. Bonds5

About 3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 834145) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID834145
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H25N3O2/c1-3-25-19-6-4-5-16(15-19)20(24)21-17-7-9-18(10-8-17)23-13-11-22(2)12-14-23/h4-10,15H,3,11-14H2,1-2H3,(H,21,24)
InChIKeyIIKNYFYCJFRNPU-UHFFFAOYSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
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

N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 2200234
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3140260
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984389
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-3-ethoxybenzamide
CID 17091687
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-ethoxybenzamide
CID 17334222
3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837
N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide
CID 23443332
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 834145) is 3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is CCOc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of 3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is IIKNYFYCJFRNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-25-19-6-4-5-16(15-19)20(24)21-17-7-9-18(10-8-17)23-13-11-22(2)12-14-23/h4-10,15H,3,11-14H2,1-2H3,(H,21,24).
What are the key properties of 3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 834145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).