1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one

C21H17FN2O2S — CID 11653780

IUPAC1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one
SMILESO=C1CCN(c2sc(C(=O)c3ccc(F)cc3)cc2-c2ccncc2)CC1
InChIInChI=1S/C21H17FN2O2S/c22-16-3-1-15(2-4-16)20(26)19-13-18(14-5-9-23-10-6-14)21(27-19)24-11-7-17(25)8-12-24/h1-6,9-10,13H,7-8,11-12H2
InChIKeyMRNLUNHRLMMKCV-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.35
Rot. Bonds4

About 1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one

1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one (PubChem CID 11653780) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one
PubChem CID11653780
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC Name1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one
SMILESO=C1CCN(c2sc(C(=O)c3ccc(F)cc3)cc2-c2ccncc2)CC1
InChIInChI=1S/C21H17FN2O2S/c22-16-3-1-15(2-4-16)20(26)19-13-18(14-5-9-23-10-6-14)21(27-19)24-11-7-17(25)8-12-24/h1-6,9-10,13H,7-8,11-12H2
InChIKeyMRNLUNHRLMMKCV-UHFFFAOYSA-N
XLogP4.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one?
The IUPAC name of 1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one (CID 11653780) is 1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one?
The canonical SMILES for 1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one is O=C1CCN(c2sc(C(=O)c3ccc(F)cc3)cc2-c2ccncc2)CC1.
What is the InChIKey of 1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one?
The InChIKey is MRNLUNHRLMMKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c22-16-3-1-15(2-4-16)20(26)19-13-18(14-5-9-23-10-6-14)21(27-19)24-11-7-17(25)8-12-24/h1-6,9-10,13H,7-8,11-12H2.
What are the key properties of 1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one?
1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one has a molecular weight of 380.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorobenzoyl)-3-pyridin-4-ylthiophen-2-yl]piperidin-4-one is sourced from PubChem (CID 11653780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).