5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine

C21H28N4O3S — CID 133349588

IUPAC5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
SMILESO=S(=O)(c1ccc(N2CCC(COc3ccccn3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C21H28N4O3S/c26-29(27,25-12-4-1-5-13-25)19-7-8-20(23-16-19)24-14-9-18(10-15-24)17-28-21-6-2-3-11-22-21/h2-3,6-8,11,16,18H,1,4-5,9-10,12-15,17H2
InChIKeyZHRCEOWNYQGYNY-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.95
Rot. Bonds6

About 5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine

5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine (PubChem CID 133349588) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
PubChem CID133349588
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
SMILESO=S(=O)(c1ccc(N2CCC(COc3ccccn3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C21H28N4O3S/c26-29(27,25-12-4-1-5-13-25)19-7-8-20(23-16-19)24-14-9-18(10-15-24)17-28-21-6-2-3-11-22-21/h2-3,6-8,11,16,18H,1,4-5,9-10,12-15,17H2
InChIKeyZHRCEOWNYQGYNY-UHFFFAOYSA-N
XLogP2.95
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine?
The IUPAC name of 5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine (CID 133349588) is 5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine is O=S(=O)(c1ccc(N2CCC(COc3ccccn3)CC2)nc1)N1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine?
The InChIKey is ZHRCEOWNYQGYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c26-29(27,25-12-4-1-5-13-25)19-7-8-20(23-16-19)24-14-9-18(10-15-24)17-28-21-6-2-3-11-22-21/h2-3,6-8,11,16,18H,1,4-5,9-10,12-15,17H2.
What are the key properties of 5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine?
5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine has a molecular weight of 416.55 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 133349588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).