(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone

C19H21NO3S — CID 86835918

IUPAC(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
SMILESCS(=O)c1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-24(22)18-9-7-15(8-10-18)19(21)20-13-11-17(12-14-20)23-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3
InChIKeyYTAOKPLYILEEFR-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.11
Rot. Bonds4

About (4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone

(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone (PubChem CID 86835918) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
PubChem CID86835918
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
SMILESCS(=O)c1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO3S/c1-24(22)18-9-7-15(8-10-18)19(21)20-13-11-17(12-14-20)23-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3
InChIKeyYTAOKPLYILEEFR-UHFFFAOYSA-N
XLogP3.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide
CID 46508173
(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 78949980
(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60954681
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone?
The IUPAC name of (4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone (CID 86835918) is (4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone is CS(=O)c1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1.
What is the InChIKey of (4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone?
The InChIKey is YTAOKPLYILEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-24(22)18-9-7-15(8-10-18)19(21)20-13-11-17(12-14-20)23-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3.
What are the key properties of (4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone?
(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone has a molecular weight of 343.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 86835918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).