4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one

C19H25NO2 — CID 73153095

IUPAC4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one
SMILESCCC(C=CC(=O)N1CCCCC1)=Cc1ccc(OC)cc1
InChIInChI=1S/C19H25NO2/c1-3-16(15-17-7-10-18(22-2)11-8-17)9-12-19(21)20-13-5-4-6-14-20/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyCDLDQHIHUIZUDL-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.06
Rot. Bonds5

About 4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one

4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one (PubChem CID 73153095) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one
PubChem CID73153095
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one
SMILESCCC(C=CC(=O)N1CCCCC1)=Cc1ccc(OC)cc1
InChIInChI=1S/C19H25NO2/c1-3-16(15-17-7-10-18(22-2)11-8-17)9-12-19(21)20-13-5-4-6-14-20/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyCDLDQHIHUIZUDL-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one
CID 11956976
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
(E,4E)-4-[(4-methoxyphenyl)methylidene]-1-[1-(piperazine-1-carbonyl)piperidin-1-ium-1-yl]hex-2-en-1-one
CID 173186221
(2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one
CID 139551801
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3440273
4-[(2,2-dimethylchromen-6-yl)methylidene]-1-pyrrolidin-1-ylhex-2-en-1-one
CID 73153109
(E)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 60958280
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 24705129
methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate
CID 139785089
(2E,4E)-5-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-one
CID 139551866
(2E,4E)-5-(2,4-dimethoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpenta-2,4-dien-1-one
CID 73389413
3-(3,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 86014183

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one?
The IUPAC name of 4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one (CID 73153095) is 4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one is CCC(C=CC(=O)N1CCCCC1)=Cc1ccc(OC)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one?
The InChIKey is CDLDQHIHUIZUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-16(15-17-7-10-18(22-2)11-8-17)9-12-19(21)20-13-5-4-6-14-20/h7-12,15H,3-6,13-14H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one?
4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one has a molecular weight of 299.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one is sourced from PubChem (CID 73153095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).