4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide

C28H34N4O3 — CID 139398297

IUPAC4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide
SMILESCNc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(OCCOC)CC4)cc3)cc2)cc1
InChIInChI=1S/C28H34N4O3/c1-29-22-5-7-23(8-6-22)30-24-9-11-25(12-10-24)31-28(33)21-3-13-26(14-4-21)32-17-15-27(16-18-32)35-20-19-34-2/h3-14,27,29-30H,15-20H2,1-2H3,(H,31,33)
InChIKeyVGXSYXDQXBHQMY-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.36
Rot. Bonds10

About 4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide

4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide (PubChem CID 139398297) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide
PubChem CID139398297
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide
SMILESCNc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(OCCOC)CC4)cc3)cc2)cc1
InChIInChI=1S/C28H34N4O3/c1-29-22-5-7-23(8-6-22)30-24-9-11-25(12-10-24)31-28(33)21-3-13-26(14-4-21)32-17-15-27(16-18-32)35-20-19-34-2/h3-14,27,29-30H,15-20H2,1-2H3,(H,31,33)
InChIKeyVGXSYXDQXBHQMY-UHFFFAOYSA-N
XLogP5.36
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(2-methoxyethoxy)piperidin-1-yl]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone
CID 159611973
N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67114265
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
CID 71809682
N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 91814615
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide?
The IUPAC name of 4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide (CID 139398297) is 4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide?
The canonical SMILES for 4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide is CNc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(OCCOC)CC4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide?
The InChIKey is VGXSYXDQXBHQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-29-22-5-7-23(8-6-22)30-24-9-11-25(12-10-24)31-28(33)21-3-13-26(14-4-21)32-17-15-27(16-18-32)35-20-19-34-2/h3-14,27,29-30H,15-20H2,1-2H3,(H,31,33).
What are the key properties of 4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide?
4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide has a molecular weight of 474.61 g/mol, XLogP of 5.36, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide is sourced from PubChem (CID 139398297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).