(4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone

C15H16FNOS — CID 32978773

IUPAC(4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3c(F)cccc3s2)CC1
InChIInChI=1S/C15H16FNOS/c1-10-5-7-17(8-6-10)15(18)14-9-11-12(16)3-2-4-13(11)19-14/h2-4,9-10H,5-8H2,1H3
InChIKeyXNQXSMSPOSEOAL-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.91
Rot. Bonds1

About (4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone

(4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 32978773) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is (4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID32978773
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name(4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3c(F)cccc3s2)CC1
InChIInChI=1S/C15H16FNOS/c1-10-5-7-17(8-6-10)15(18)14-9-11-12(16)3-2-4-13(11)19-14/h2-4,9-10H,5-8H2,1H3
InChIKeyXNQXSMSPOSEOAL-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 32978773) is (4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc3c(F)cccc3s2)CC1.
What is the InChIKey of (4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XNQXSMSPOSEOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-10-5-7-17(8-6-10)15(18)14-9-11-12(16)3-2-4-13(11)19-14/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
(4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 277.36 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 32978773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).