furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone

C16H19NO2S — CID 46740413

IUPACfuran-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone
SMILESCc1cc(CN2CCCCC2)c(C(=O)c2ccco2)s1
InChIInChI=1S/C16H19NO2S/c1-12-10-13(11-17-7-3-2-4-8-17)16(20-12)15(18)14-6-5-9-19-14/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyFJLPTLRPTVHMSD-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.87
Rot. Bonds4

About furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone

furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone (PubChem CID 46740413) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone
PubChem CID46740413
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Namefuran-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone
SMILESCc1cc(CN2CCCCC2)c(C(=O)c2ccco2)s1
InChIInChI=1S/C16H19NO2S/c1-12-10-13(11-17-7-3-2-4-8-17)16(20-12)15(18)14-6-5-9-19-14/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyFJLPTLRPTVHMSD-UHFFFAOYSA-N
XLogP3.87
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone?
The IUPAC name of furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone (CID 46740413) is furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone?
The canonical SMILES for furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone is Cc1cc(CN2CCCCC2)c(C(=O)c2ccco2)s1.
What is the InChIKey of furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone?
The InChIKey is FJLPTLRPTVHMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-10-13(11-17-7-3-2-4-8-17)16(20-12)15(18)14-6-5-9-19-14/h5-6,9-10H,2-4,7-8,11H2,1H3.
What are the key properties of furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone?
furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone has a molecular weight of 289.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 46740413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).