2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone

C19H22N2O2S — CID 122255775

IUPAC2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(CSCc1ccccc1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C19H22N2O2S/c22-19(15-24-14-16-5-2-1-3-6-16)21-12-4-7-18(13-21)23-17-8-10-20-11-9-17/h1-3,5-6,8-11,18H,4,7,12-15H2
InChIKeyBNYUGOQGSZHYRC-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.38
Rot. Bonds6

About 2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone

2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122255775) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122255775
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(CSCc1ccccc1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C19H22N2O2S/c22-19(15-24-14-16-5-2-1-3-6-16)21-12-4-7-18(13-21)23-17-8-10-20-11-9-17/h1-3,5-6,8-11,18H,4,7,12-15H2
InChIKeyBNYUGOQGSZHYRC-UHFFFAOYSA-N
XLogP3.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
CID 122255705
methyl 1-(2-benzylsulfanylacetyl)piperidine-3-carboxylate
CID 78918834
2-benzylsulfanyl-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637393
2-benzylsulfanyl-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129355253
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255770
2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255781
2-benzylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356079
2-benzylsulfanyl-1-(3-phenylazepan-1-yl)ethanone
CID 90608480

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (CID 122255775) is 2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is O=C(CSCc1ccccc1)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is BNYUGOQGSZHYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-19(15-24-14-16-5-2-1-3-6-16)21-12-4-7-18(13-21)23-17-8-10-20-11-9-17/h1-3,5-6,8-11,18H,4,7,12-15H2.
What are the key properties of 2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 342.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122255775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).