5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one

C18H22F2N2OS — CID 143120448

IUPAC5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(CN3CCCC(F)(F)C3)s2)c(C)[nH]c1=O
InChIInChI=1S/C18H22F2N2OS/c1-3-13-9-15(12(2)21-17(13)23)16-6-5-14(24-16)10-22-8-4-7-18(19,20)11-22/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeyGZHNAUJCLASJLC-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.21
Rot. Bonds4

About 5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one

5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one (PubChem CID 143120448) has the molecular formula C18H22F2N2OS and a molecular weight of 352.45 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one
PubChem CID143120448
Molecular FormulaC18H22F2N2OS
Molecular Weight352.45 g/mol
Exact Mass352.14
IUPAC Name5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(CN3CCCC(F)(F)C3)s2)c(C)[nH]c1=O
InChIInChI=1S/C18H22F2N2OS/c1-3-13-9-15(12(2)21-17(13)23)16-6-5-14(24-16)10-22-8-4-7-18(19,20)11-22/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeyGZHNAUJCLASJLC-UHFFFAOYSA-N
XLogP4.21
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one (CID 143120448) is 5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one is CCc1cc(-c2ccc(CN3CCCC(F)(F)C3)s2)c(C)[nH]c1=O.
What is the InChIKey of 5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one?
The InChIKey is GZHNAUJCLASJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2OS/c1-3-13-9-15(12(2)21-17(13)23)16-6-5-14(24-16)10-22-8-4-7-18(19,20)11-22/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,21,23).
What are the key properties of 5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one?
5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one has a molecular weight of 352.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3,3-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-3-ethyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 143120448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).