[2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone

C18H21NO4S — CID 71989316

IUPAC[2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCC1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)C(c2ccco2)C1
InChIInChI=1S/C18H21NO4S/c1-13-8-9-19(16(11-13)17-7-4-10-23-17)18(20)14-5-3-6-15(12-14)24(2,21)22/h3-7,10,12-13,16H,8-9,11H2,1-2H3
InChIKeyPVRVUJPLYXKHFS-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.30
Rot. Bonds3

About [2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone

[2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 71989316) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is [2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID71989316
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name[2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCC1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)C(c2ccco2)C1
InChIInChI=1S/C18H21NO4S/c1-13-8-9-19(16(11-13)17-7-4-10-23-17)18(20)14-5-3-6-15(12-14)24(2,21)22/h3-7,10,12-13,16H,8-9,11H2,1-2H3
InChIKeyPVRVUJPLYXKHFS-UHFFFAOYSA-N
XLogP3.30
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 99297656
cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132569
5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid
CID 124692737
5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide
CID 71989320
3-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 71989321
[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 97094162
4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 71869689
[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95303191
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9361971
3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine
CID 99847176
(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
CID 95352268

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone (CID 71989316) is [2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone is CC1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)C(c2ccco2)C1.
What is the InChIKey of [2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is PVRVUJPLYXKHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-8-9-19(16(11-13)17-7-4-10-23-17)18(20)14-5-3-6-15(12-14)24(2,21)22/h3-7,10,12-13,16H,8-9,11H2,1-2H3.
What are the key properties of [2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
[2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 347.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 71989316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).