N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide

C26H26FN3O2 — CID 4053611

IUPACN-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(c2ccc(F)cc2)c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C26H26FN3O2/c1-32-24-15-9-21(10-16-24)26(31)29-28-25(19-5-11-22(27)12-6-19)20-7-13-23(14-8-20)30-17-3-2-4-18-30/h5-16H,2-4,17-18H2,1H3,(H,29,31)
InChIKeyVAQOZDCAEBMOQN-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.01
Rot. Bonds6

About N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide

N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide (PubChem CID 4053611) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide
PubChem CID4053611
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC NameN-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(c2ccc(F)cc2)c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C26H26FN3O2/c1-32-24-15-9-21(10-16-24)26(31)29-28-25(19-5-11-22(27)12-6-19)20-7-13-23(14-8-20)30-17-3-2-4-18-30/h5-16H,2-4,17-18H2,1H3,(H,29,31)
InChIKeyVAQOZDCAEBMOQN-UHFFFAOYSA-N
XLogP5.01
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide?
The IUPAC name of N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide (CID 4053611) is N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide.
What is the SMILES notation for N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide?
The canonical SMILES for N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide is COc1ccc(C(=O)NN=C(c2ccc(F)cc2)c2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide?
The InChIKey is VAQOZDCAEBMOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-32-24-15-9-21(10-16-24)26(31)29-28-25(19-5-11-22(27)12-6-19)20-7-13-23(14-8-20)30-17-3-2-4-18-30/h5-16H,2-4,17-18H2,1H3,(H,29,31).
What are the key properties of N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide?
N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide has a molecular weight of 431.51 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4-fluorophenyl)-(4-piperidin-1-ylphenyl)methylidene]amino]-4-methoxybenzamide is sourced from PubChem (CID 4053611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).