N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide

C20H22ClN3O2 — CID 136994939

IUPACN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide
SMILESC/C(=N\NC(=O)c1cccc(N2CCCCC2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C20H22ClN3O2/c1-14(18-13-16(21)8-9-19(18)25)22-23-20(26)15-6-5-7-17(12-15)24-10-3-2-4-11-24/h5-9,12-13,25H,2-4,10-11H2,1H3,(H,23,26)/b22-14+
InChIKeyJIOWYDCUEXMLLN-HYARGMPZSA-N
MW371.87 g/mol
LogP4.19
Rot. Bonds4

About N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide

N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide (PubChem CID 136994939) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide
PubChem CID136994939
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide
SMILESC/C(=N\NC(=O)c1cccc(N2CCCCC2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C20H22ClN3O2/c1-14(18-13-16(21)8-9-19(18)25)22-23-20(26)15-6-5-7-17(12-15)24-10-3-2-4-11-24/h5-9,12-13,25H,2-4,10-11H2,1H3,(H,23,26)/b22-14+
InChIKeyJIOWYDCUEXMLLN-HYARGMPZSA-N
XLogP4.19
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide?
The IUPAC name of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide (CID 136994939) is N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide is C/C(=N\NC(=O)c1cccc(N2CCCCC2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide?
The InChIKey is JIOWYDCUEXMLLN-HYARGMPZSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-14(18-13-16(21)8-9-19(18)25)22-23-20(26)15-6-5-7-17(12-15)24-10-3-2-4-11-24/h5-9,12-13,25H,2-4,10-11H2,1H3,(H,23,26)/b22-14+.
What are the key properties of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide?
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide has a molecular weight of 371.87 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide is sourced from PubChem (CID 136994939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).