2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one

C16H26N2O3S — CID 123120839

IUPAC2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one
SMILESCCCOc1c[nH]c(CS(=O)CCN2CCCCC2)cc1=O
InChIInChI=1S/C16H26N2O3S/c1-2-9-21-16-12-17-14(11-15(16)19)13-22(20)10-8-18-6-4-3-5-7-18/h11-12H,2-10,13H2,1H3,(H,17,19)
InChIKeyHDSPGATYAWADGH-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.90
Rot. Bonds8

About 2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one

2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one (PubChem CID 123120839) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one
PubChem CID123120839
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one
SMILESCCCOc1c[nH]c(CS(=O)CCN2CCCCC2)cc1=O
InChIInChI=1S/C16H26N2O3S/c1-2-9-21-16-12-17-14(11-15(16)19)13-22(20)10-8-18-6-4-3-5-7-18/h11-12H,2-10,13H2,1H3,(H,17,19)
InChIKeyHDSPGATYAWADGH-UHFFFAOYSA-N
XLogP1.90
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one?
The IUPAC name of 2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one (CID 123120839) is 2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one is CCCOc1c[nH]c(CS(=O)CCN2CCCCC2)cc1=O.
What is the InChIKey of 2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one?
The InChIKey is HDSPGATYAWADGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-2-9-21-16-12-17-14(11-15(16)19)13-22(20)10-8-18-6-4-3-5-7-18/h11-12H,2-10,13H2,1H3,(H,17,19).
What are the key properties of 2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one?
2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one has a molecular weight of 326.46 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one is sourced from PubChem (CID 123120839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).