2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone

C22H33N3O2S — CID 90617346

IUPAC2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESO=C(CSC1CCCC1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C22H33N3O2S/c26-22(17-28-21-3-1-2-4-21)25-13-7-18(8-14-25)24-15-9-20(10-16-24)27-19-5-11-23-12-6-19/h5-6,11-12,18,20-21H,1-4,7-10,13-17H2
InChIKeyBXQJBTGOMASONL-UHFFFAOYSA-N
MW403.59 g/mol
LogP3.59
Rot. Bonds6

About 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone

2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 90617346) has the molecular formula C22H33N3O2S and a molecular weight of 403.59 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
PubChem CID90617346
Molecular FormulaC22H33N3O2S
Molecular Weight403.59 g/mol
Exact Mass403.23
IUPAC Name2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESO=C(CSC1CCCC1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C22H33N3O2S/c26-22(17-28-21-3-1-2-4-21)25-13-7-18(8-14-25)24-15-9-20(10-16-24)27-19-5-11-23-12-6-19/h5-6,11-12,18,20-21H,1-4,7-10,13-17H2
InChIKeyBXQJBTGOMASONL-UHFFFAOYSA-N
XLogP3.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 90617118
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
3-phenylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617160
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617176
3-(2,6-dichlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617235
2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617132
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone (CID 90617346) is 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone is O=C(CSC1CCCC1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is BXQJBTGOMASONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2S/c26-22(17-28-21-3-1-2-4-21)25-13-7-18(8-14-25)24-15-9-20(10-16-24)27-19-5-11-23-12-6-19/h5-6,11-12,18,20-21H,1-4,7-10,13-17H2.
What are the key properties of 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone?
2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 403.59 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 90617346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).