2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone

C24H25NOS — CID 58465410

IUPAC2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone
SMILESO=C(CSCc1cccc2ccccc12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H25NOS/c26-24(25-15-13-20(14-16-25)19-7-2-1-3-8-19)18-27-17-22-11-6-10-21-9-4-5-12-23(21)22/h1-12,20H,13-18H2
InChIKeyFEHBOUUYMOHDIL-UHFFFAOYSA-N
MW375.54 g/mol
LogP5.48
Rot. Bonds5

About 2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone

2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone (PubChem CID 58465410) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone
PubChem CID58465410
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone
SMILESO=C(CSCc1cccc2ccccc12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H25NOS/c26-24(25-15-13-20(14-16-25)19-7-2-1-3-8-19)18-27-17-22-11-6-10-21-9-4-5-12-23(21)22/h1-12,20H,13-18H2
InChIKeyFEHBOUUYMOHDIL-UHFFFAOYSA-N
XLogP5.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone
CID 18456285
2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]sulfanylacetic acid
CID 104569524
1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-naphthalen-1-ylethanone
CID 121021514
2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide
CID 60605411
N-(cyclopropylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 47320973
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]sulfanylacetamide
CID 39580438
3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 110024551
2-benzylsulfanyl-1-(3-phenylazepan-1-yl)ethanone
CID 90608480
2-[2-oxo-2-[(4S)-4-phenylazepan-1-yl]ethyl]isoquinolin-1-one
CID 97269389
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
4-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 166196668

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone (CID 58465410) is 2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone is O=C(CSCc1cccc2ccccc12)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone?
The InChIKey is FEHBOUUYMOHDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOS/c26-24(25-15-13-20(14-16-25)19-7-2-1-3-8-19)18-27-17-22-11-6-10-21-9-4-5-12-23(21)22/h1-12,20H,13-18H2.
What are the key properties of 2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone?
2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone has a molecular weight of 375.54 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58465410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).