4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine

C23H31N3O4S — CID 90617489

IUPAC4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C23H31N3O4S/c1-2-29-22-5-3-4-6-23(22)31(27,28)26-17-9-19(10-18-26)25-15-11-21(12-16-25)30-20-7-13-24-14-8-20/h3-8,13-14,19,21H,2,9-12,15-18H2,1H3
InChIKeyOVWSPNAUDGHNLR-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.18
Rot. Bonds7

About 4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine

4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine (PubChem CID 90617489) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
PubChem CID90617489
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C23H31N3O4S/c1-2-29-22-5-3-4-6-23(22)31(27,28)26-17-9-19(10-18-26)25-15-11-21(12-16-25)30-20-7-13-24-14-8-20/h3-8,13-14,19,21H,2,9-12,15-18H2,1H3
InChIKeyOVWSPNAUDGHNLR-UHFFFAOYSA-N
XLogP3.18
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine?
The IUPAC name of 4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine (CID 90617489) is 4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine is CCOc1ccccc1S(=O)(=O)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of 4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine?
The InChIKey is OVWSPNAUDGHNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-2-29-22-5-3-4-6-23(22)31(27,28)26-17-9-19(10-18-26)25-15-11-21(12-16-25)30-20-7-13-24-14-8-20/h3-8,13-14,19,21H,2,9-12,15-18H2,1H3.
What are the key properties of 4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine?
4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine has a molecular weight of 445.59 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 90617489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).