4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide

C22H25N3O2 — CID 66889276

IUPAC4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESC=CC(C)Oc1cccc(C=C2CCN(C(=O)Nc3cccnc3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-3-17(2)27-21-8-4-6-19(15-21)14-18-9-12-25(13-10-18)22(26)24-20-7-5-11-23-16-20/h3-8,11,14-17H,1,9-10,12-13H2,2H3,(H,24,26)
InChIKeyJDQGYVUPZARHEN-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.75
Rot. Bonds5

About 4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide

4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 66889276) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID66889276
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESC=CC(C)Oc1cccc(C=C2CCN(C(=O)Nc3cccnc3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-3-17(2)27-21-8-4-6-19(15-21)14-18-9-12-25(13-10-18)22(26)24-20-7-5-11-23-16-20/h3-8,11,14-17H,1,9-10,12-13H2,2H3,(H,24,26)
InChIKeyJDQGYVUPZARHEN-UHFFFAOYSA-N
XLogP4.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-3-yl-4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24964786
4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883942
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883931
4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66875738
N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66899697
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884378
4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66886122
(4E)-4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 67229064
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
N-(5-methoxypyrazin-2-yl)-4-[[3-(4,4,4-trifluoro-2-methylbutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66884974
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66886029

Frequently Asked Questions

What is the IUPAC name of 4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide (CID 66889276) is 4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide is C=CC(C)Oc1cccc(C=C2CCN(C(=O)Nc3cccnc3)CC2)c1.
What is the InChIKey of 4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is JDQGYVUPZARHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-17(2)27-21-8-4-6-19(15-21)14-18-9-12-25(13-10-18)22(26)24-20-7-5-11-23-16-20/h3-8,11,14-17H,1,9-10,12-13H2,2H3,(H,24,26).
What are the key properties of 4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide?
4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 66889276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).