3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one

C14H15NO2 — CID 174799833

IUPAC3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one
SMILESC=C1CNCC(=Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H15NO2/c1-10-8-15-9-12(14(10)16)7-11-3-5-13(17-2)6-4-11/h3-7,15H,1,8-9H2,2H3
InChIKeyYGVHPUINPPWHLG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.81
Rot. Bonds2

About 3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one

3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one (PubChem CID 174799833) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one
PubChem CID174799833
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one
SMILESC=C1CNCC(=Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C14H15NO2/c1-10-8-15-9-12(14(10)16)7-11-3-5-13(17-2)6-4-11/h3-7,15H,1,8-9H2,2H3
InChIKeyYGVHPUINPPWHLG-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
CID 67064867
tert-butylbenzene;3-[(3,5-dimethoxyphenyl)methylidene]-5-methylidenepiperidin-4-one
CID 174799735
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
(3E)-1-ethyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-1-ium-4-one
CID 6993742
1-ethyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-4-one;hydrochloride
CID 73243048
4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
CID 162369806
3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 72983742
4-[(4-methoxyphenyl)methylidene]piperidine
CID 20811455
(2E,6Z)-2-[(4-methoxyphenyl)methylidene]-6-[(4-phenylphenyl)methylidene]cyclohexan-1-one
CID 2313566
2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
CID 67064982
[(3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-4-oxocyclohexyl] acetate
CID 11101254
2-[bis(methylsulfanyl)methylidene]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one
CID 3338854

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one?
The IUPAC name of 3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one (CID 174799833) is 3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one is C=C1CNCC(=Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of 3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one?
The InChIKey is YGVHPUINPPWHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-8-15-9-12(14(10)16)7-11-3-5-13(17-2)6-4-11/h3-7,15H,1,8-9H2,2H3.
What are the key properties of 3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one?
3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one is sourced from PubChem (CID 174799833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).