[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone

C14H17F2NO3S — CID 78768168

IUPAC[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C14H17F2NO3S/c1-10-6-8-17(9-7-10)13(18)11-2-4-12(5-3-11)21(19,20)14(15)16/h2-5,10,14H,6-9H2,1H3
InChIKeyQLKKWJNSRKQWIT-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.56
Rot. Bonds3

About [4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone

[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 78768168) has the molecular formula C14H17F2NO3S and a molecular weight of 317.36 g/mol. Its IUPAC name is [4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID78768168
Molecular FormulaC14H17F2NO3S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C14H17F2NO3S/c1-10-6-8-17(9-7-10)13(18)11-2-4-12(5-3-11)21(19,20)14(15)16/h2-5,10,14H,6-9H2,1H3
InChIKeyQLKKWJNSRKQWIT-UHFFFAOYSA-N
XLogP2.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 112767085
[4-(aminomethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone;hydrochloride
CID 119423356
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707770
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N-butyl-1-[4-(difluoromethylsulfonyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55950780
1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 30453081
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[3-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 119594454
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile
CID 49064132
1-[4-(difluoromethylsulfonyl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952007
[4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
CID 75399592

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 78768168) is [4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1.
What is the InChIKey of [4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QLKKWJNSRKQWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3S/c1-10-6-8-17(9-7-10)13(18)11-2-4-12(5-3-11)21(19,20)14(15)16/h2-5,10,14H,6-9H2,1H3.
What are the key properties of [4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 317.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 78768168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).