[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate

C19H26N2O4 — CID 1485376

IUPAC[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)ON=C2CC(C)(C)N(C(C)=O)C(C)(C)C2)cc1
InChIInChI=1S/C19H26N2O4/c1-13(22)21-18(2,3)11-15(12-19(21,4)5)20-25-17(23)14-7-9-16(24-6)10-8-14/h7-10H,11-12H2,1-6H3
InChIKeyJCUSCJJIZJQKKE-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.41
Rot. Bonds3

About [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate

[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate (PubChem CID 1485376) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate.

Molecular Properties

Compound Name[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate
PubChem CID1485376
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)ON=C2CC(C)(C)N(C(C)=O)C(C)(C)C2)cc1
InChIInChI=1S/C19H26N2O4/c1-13(22)21-18(2,3)11-15(12-19(21,4)5)20-25-17(23)14-7-9-16(24-6)10-8-14/h7-10H,11-12H2,1-6H3
InChIKeyJCUSCJJIZJQKKE-UHFFFAOYSA-N
XLogP3.41
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate
CID 3747668
[[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 4-methoxybenzoate
CID 4714074
[[2,6-bis(4-hydroxy-3-methoxyphenyl)-1-methylpiperidin-4-ylidene]amino] 4-methoxybenzoate
CID 71463140
[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
CID 10353566
CID 140598437
CID 140598437
[(Z)-(2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzoate
CID 6396906
[[4-[(3-methoxyphenyl)carbamoyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 4-methoxybenzoate
CID 4714260
[(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 4-methoxybenzoate
CID 754830
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
[[4-[(4-chloro-2-methylphenyl)carbamoyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 4-methoxybenzoate
CID 4714406

Frequently Asked Questions

What is the IUPAC name of [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate?
The IUPAC name of [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate (CID 1485376) is [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate.
What is the SMILES notation for [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate?
The canonical SMILES for [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate is COc1ccc(C(=O)ON=C2CC(C)(C)N(C(C)=O)C(C)(C)C2)cc1.
What is the InChIKey of [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate?
The InChIKey is JCUSCJJIZJQKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(22)21-18(2,3)11-15(12-19(21,4)5)20-25-17(23)14-7-9-16(24-6)10-8-14/h7-10H,11-12H2,1-6H3.
What are the key properties of [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate?
[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate has a molecular weight of 346.43 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate is sourced from PubChem (CID 1485376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).