4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine

C22H29N3O3S — CID 90617536

IUPAC4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C22H29N3O3S/c26-29(27,18-19-4-2-1-3-5-19)25-16-8-20(9-17-25)24-14-10-22(11-15-24)28-21-6-12-23-13-7-21/h1-7,12-13,20,22H,8-11,14-18H2
InChIKeyWDXGPJDWYSJXCG-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.92
Rot. Bonds6

About 4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine

4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine (PubChem CID 90617536) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine
PubChem CID90617536
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C22H29N3O3S/c26-29(27,18-19-4-2-1-3-5-19)25-16-8-20(9-17-25)24-14-10-22(11-15-24)28-21-6-12-23-13-7-21/h1-7,12-13,20,22H,8-11,14-18H2
InChIKeyWDXGPJDWYSJXCG-UHFFFAOYSA-N
XLogP2.92
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617489
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
4-[1-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617485
3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
CID 90566210
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617948
3-(4-phenylmethoxyphenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617225
4-[1-[1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617492
3-phenylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617160
4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617490
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
1-benzylsulfonyl-4-(2-bromoethoxy)piperidine
CID 82701182

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine?
The IUPAC name of 4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine (CID 90617536) is 4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine.
What is the SMILES notation for 4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine?
The canonical SMILES for 4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine is O=S(=O)(Cc1ccccc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of 4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine?
The InChIKey is WDXGPJDWYSJXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c26-29(27,18-19-4-2-1-3-5-19)25-16-8-20(9-17-25)24-14-10-22(11-15-24)28-21-6-12-23-13-7-21/h1-7,12-13,20,22H,8-11,14-18H2.
What are the key properties of 4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine?
4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine has a molecular weight of 415.56 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine is sourced from PubChem (CID 90617536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).