2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone

C22H26N2O4 — CID 7669475

IUPAC2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone
SMILESCOc1cc(/C=N\OCC(=O)N2CCCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H26N2O4/c1-26-21-14-19(10-11-20(21)27-16-18-8-4-2-5-9-18)15-23-28-17-22(25)24-12-6-3-7-13-24/h2,4-5,8-11,14-15H,3,6-7,12-13,16-17H2,1H3/b23-15-
InChIKeyUBSKWHFWQXVYBF-HAHDFKILSA-N
MW382.46 g/mol
LogP3.64
Rot. Bonds8

About 2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone

2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone (PubChem CID 7669475) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone
PubChem CID7669475
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone
SMILESCOc1cc(/C=N\OCC(=O)N2CCCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H26N2O4/c1-26-21-14-19(10-11-20(21)27-16-18-8-4-2-5-9-18)15-23-28-17-22(25)24-12-6-3-7-13-24/h2,4-5,8-11,14-15H,3,6-7,12-13,16-17H2,1H3/b23-15-
InChIKeyUBSKWHFWQXVYBF-HAHDFKILSA-N
XLogP3.64
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 71313895
1-(azepan-1-yl)-2-[(E)-benzylideneamino]oxyethanone
CID 56692418
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
CID 42971257
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylideneamino]oxyethanone
CID 2848645
N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 3894304
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 46698013
azepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methanethione
CID 7369964
N-[4-(difluoromethoxy)phenyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 6893064
(Z)-N-[(2-fluorophenyl)methoxy]-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 7669404
1-(azepan-1-yl)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyethanone
CID 7702672
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 24607111
methyl 5-[2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42981467

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone (CID 7669475) is 2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone is COc1cc(/C=N\OCC(=O)N2CCCCC2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone?
The InChIKey is UBSKWHFWQXVYBF-HAHDFKILSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-21-14-19(10-11-20(21)27-16-18-8-4-2-5-9-18)15-23-28-17-22(25)24-12-6-3-7-13-24/h2,4-5,8-11,14-15H,3,6-7,12-13,16-17H2,1H3/b23-15-.
What are the key properties of 2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone?
2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone has a molecular weight of 382.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 7669475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).