1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile

C15H13FN2OS — CID 78986209

IUPAC1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1
InChIInChI=1S/C15H13FN2OS/c16-12-2-1-11-7-14(20-13(11)8-12)15(19)18-5-3-10(9-17)4-6-18/h1-2,7-8,10H,3-6H2
InChIKeyCHOHUMVFJPSUID-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.42
Rot. Bonds1

About 1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile

1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile (PubChem CID 78986209) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile
PubChem CID78986209
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1
InChIInChI=1S/C15H13FN2OS/c16-12-2-1-11-7-14(20-13(11)8-12)15(19)18-5-3-10(9-17)4-6-18/h1-2,7-8,10H,3-6H2
InChIKeyCHOHUMVFJPSUID-UHFFFAOYSA-N
XLogP3.42
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetonitrile
CID 79076647
4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile
CID 78945682
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105088
[3-(chloromethyl)pyrrolidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105163
(6-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874928
[3-(bromomethyl)piperidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81104825
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carbothioamide
CID 81115576
(6-fluoro-1-benzothiophen-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81104737
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 78979821
4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carboxylic acid
CID 81115536
[2-(bromomethyl)piperidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105096
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)piperidine-4-carbonitrile
CID 80709755

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile (CID 78986209) is 1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile?
The InChIKey is CHOHUMVFJPSUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-12-2-1-11-7-14(20-13(11)8-12)15(19)18-5-3-10(9-17)4-6-18/h1-2,7-8,10H,3-6H2.
What are the key properties of 1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile?
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 78986209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).