(4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone

C20H22FNO3S — CID 110394842

IUPAC(4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone
SMILESCc1cccc(CS(=O)(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H22FNO3S/c1-15-4-2-5-16(12-15)14-26(24,25)22-11-3-6-18(13-22)20(23)17-7-9-19(21)10-8-17/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3
InChIKeyFXYDEGVMVGJBQQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.56
Rot. Bonds5

About (4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone

(4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone (PubChem CID 110394842) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone
PubChem CID110394842
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name(4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone
SMILESCc1cccc(CS(=O)(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H22FNO3S/c1-15-4-2-5-16(12-15)14-26(24,25)22-11-3-6-18(13-22)20(23)17-7-9-19(21)10-8-17/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3
InChIKeyFXYDEGVMVGJBQQ-UHFFFAOYSA-N
XLogP3.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
CID 110394840
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 110394846
(3S)-1-[(4-fluorophenyl)methylsulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 92642100
(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642299
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
CID 125009856
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
CID 110394558
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 92641688
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone (CID 110394842) is (4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone is Cc1cccc(CS(=O)(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of (4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone?
The InChIKey is FXYDEGVMVGJBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-15-4-2-5-16(12-15)14-26(24,25)22-11-3-6-18(13-22)20(23)17-7-9-19(21)10-8-17/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone?
(4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone is sourced from PubChem (CID 110394842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).