(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone

C17H16FNOS — CID 121186953

IUPAC(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2s1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C17H16FNOS/c18-14-3-4-15-13(9-14)10-16(21-15)17(20)19-7-5-12(6-8-19)11-1-2-11/h3-4,9-10H,1-2,5-8H2
InChIKeyIXXKQJLDJNZMSJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.37
Rot. Bonds1

About (4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone

(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 121186953) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is (4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID121186953
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2s1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C17H16FNOS/c18-14-3-4-15-13(9-14)10-16(21-15)17(20)19-7-5-12(6-8-19)11-1-2-11/h3-4,9-10H,1-2,5-8H2
InChIKeyIXXKQJLDJNZMSJ-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone (CID 121186953) is (4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone is O=C(c1cc2cc(F)ccc2s1)N1CCC(=C2CC2)CC1.
What is the InChIKey of (4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is IXXKQJLDJNZMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c18-14-3-4-15-13(9-14)10-16(21-15)17(20)19-7-5-12(6-8-19)11-1-2-11/h3-4,9-10H,1-2,5-8H2.
What are the key properties of (4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone?
(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 121186953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).