[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone

C17H18FNO2 — CID 24537508

IUPAC[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO2/c1-12-4-2-3-11-19(12)17(20)16-10-9-15(21-16)13-5-7-14(18)8-6-13/h5-10,12H,2-4,11H2,1H3
InChIKeyUMNXSCOGBZUGBL-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.10
Rot. Bonds2

About [5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone

[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 24537508) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID24537508
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO2/c1-12-4-2-3-11-19(12)17(20)16-10-9-15(21-16)13-5-7-14(18)8-6-13/h5-10,12H,2-4,11H2,1H3
InChIKeyUMNXSCOGBZUGBL-UHFFFAOYSA-N
XLogP4.10
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone (CID 24537508) is [5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of [5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is UMNXSCOGBZUGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-4-2-3-11-19(12)17(20)16-10-9-15(21-16)13-5-7-14(18)8-6-13/h5-10,12H,2-4,11H2,1H3.
What are the key properties of [5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone?
[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 287.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 24537508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).