4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide

C21H25N3O2 — CID 5455519

IUPAC4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-16(22-23-21(25)18-8-12-20(26-2)13-9-18)17-6-10-19(11-7-17)24-14-4-3-5-15-24/h6-13H,3-5,14-15H2,1-2H3,(H,23,25)/b22-16-
InChIKeyGBBKSHAUKIKCKI-JWGURIENSA-N
MW351.45 g/mol
LogP3.84
Rot. Bonds5

About 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide

4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide (PubChem CID 5455519) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
PubChem CID5455519
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-16(22-23-21(25)18-8-12-20(26-2)13-9-18)17-6-10-19(11-7-17)24-14-4-3-5-15-24/h6-13H,3-5,14-15H2,1-2H3,(H,23,25)/b22-16-
InChIKeyGBBKSHAUKIKCKI-JWGURIENSA-N
XLogP3.84
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.84
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 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide (CID 5455519) is 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide is COc1ccc(C(=O)N/N=C(/C)c2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide?
The InChIKey is GBBKSHAUKIKCKI-JWGURIENSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(22-23-21(25)18-8-12-20(26-2)13-9-18)17-6-10-19(11-7-17)24-14-4-3-5-15-24/h6-13H,3-5,14-15H2,1-2H3,(H,23,25)/b22-16-.
What are the key properties of 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide?
4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5455519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).