(4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

C18H18FNO2S — CID 134817055

IUPAC(4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C18H18FNO2S/c19-15-3-1-14(2-4-15)17(21)20-9-7-18(8-10-20)16-13(5-11-22-18)6-12-23-16/h1-4,6,12H,5,7-11H2
InChIKeyMCOXSRXYDVAWCI-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.59
Rot. Bonds1

About (4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

(4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (PubChem CID 134817055) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is (4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
PubChem CID134817055
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name(4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C18H18FNO2S/c19-15-3-1-14(2-4-15)17(21)20-9-7-18(8-10-20)16-13(5-11-22-18)6-12-23-16/h1-4,6,12H,5,7-11H2
InChIKeyMCOXSRXYDVAWCI-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (CID 134817055) is (4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is O=C(c1ccc(F)cc1)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of (4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The InChIKey is MCOXSRXYDVAWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c19-15-3-1-14(2-4-15)17(21)20-9-7-18(8-10-20)16-13(5-11-22-18)6-12-23-16/h1-4,6,12H,5,7-11H2.
What are the key properties of (4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
(4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone has a molecular weight of 331.41 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 134817055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).