5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde

C21H20FN3O2 — CID 86625262

IUPAC5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccnc2N2CCC(Nc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H20FN3O2/c22-15-3-5-16(6-4-15)24-17-9-12-25(13-10-17)21-19(2-1-11-23-21)20-8-7-18(14-26)27-20/h1-8,11,14,17,24H,9-10,12-13H2
InChIKeyINUWVDQFFLCWEI-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.37
Rot. Bonds5

About 5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde

5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde (PubChem CID 86625262) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde
PubChem CID86625262
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccnc2N2CCC(Nc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H20FN3O2/c22-15-3-5-16(6-4-15)24-17-9-12-25(13-10-17)21-19(2-1-11-23-21)20-8-7-18(14-26)27-20/h1-8,11,14,17,24H,9-10,12-13H2
InChIKeyINUWVDQFFLCWEI-UHFFFAOYSA-N
XLogP4.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde (CID 86625262) is 5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccnc2N2CCC(Nc3ccc(F)cc3)CC2)o1.
What is the InChIKey of 5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde?
The InChIKey is INUWVDQFFLCWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-15-3-5-16(6-4-15)24-17-9-12-25(13-10-17)21-19(2-1-11-23-21)20-8-7-18(14-26)27-20/h1-8,11,14,17,24H,9-10,12-13H2.
What are the key properties of 5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde?
5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde has a molecular weight of 365.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluoroanilino)piperidin-1-yl]-3-pyridinyl]furan-2-carbaldehyde is sourced from PubChem (CID 86625262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).