3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one

C16H19N3O3S — CID 51364603

IUPAC3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESO=c1c(S(=O)(=O)N2CCCCC2)cccn1Cc1cccnc1
InChIInChI=1S/C16H19N3O3S/c20-16-15(23(21,22)19-10-2-1-3-11-19)7-5-9-18(16)13-14-6-4-8-17-12-14/h4-9,12H,1-3,10-11,13H2
InChIKeyCSIDOKZHUPOWBP-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.47
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one

3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 51364603) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID51364603
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESO=c1c(S(=O)(=O)N2CCCCC2)cccn1Cc1cccnc1
InChIInChI=1S/C16H19N3O3S/c20-16-15(23(21,22)19-10-2-1-3-11-19)7-5-9-18(16)13-14-6-4-8-17-12-14/h4-9,12H,1-3,10-11,13H2
InChIKeyCSIDOKZHUPOWBP-UHFFFAOYSA-N
XLogP1.47
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 51364603) is 3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one is O=c1c(S(=O)(=O)N2CCCCC2)cccn1Cc1cccnc1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is CSIDOKZHUPOWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-16-15(23(21,22)19-10-2-1-3-11-19)7-5-9-18(16)13-14-6-4-8-17-12-14/h4-9,12H,1-3,10-11,13H2.
What are the key properties of 3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one?
3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 333.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 51364603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).