[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone

C19H24F2N2O4S — CID 112767085

IUPAC[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H24F2N2O4S/c20-19(21)28(26,27)16-6-4-14(5-7-16)17(24)23-12-8-15(9-13-23)18(25)22-10-2-1-3-11-22/h4-7,15,19H,1-3,8-13H2
InChIKeyCTMDOYHUTPJRTD-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.55
Rot. Bonds4

About [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 112767085) has the molecular formula C19H24F2N2O4S and a molecular weight of 414.47 g/mol. Its IUPAC name is [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID112767085
Molecular FormulaC19H24F2N2O4S
Molecular Weight414.47 g/mol
Exact Mass414.14
IUPAC Name[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H24F2N2O4S/c20-19(21)28(26,27)16-6-4-14(5-7-16)17(24)23-12-8-15(9-13-23)18(25)22-10-2-1-3-11-22/h4-7,15,19H,1-3,8-13H2
InChIKeyCTMDOYHUTPJRTD-UHFFFAOYSA-N
XLogP2.55
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 78768168
[4-(aminomethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone;hydrochloride
CID 119423356
N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55468843
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707770
cyclopropyl-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806526
N-butyl-1-[4-(difluoromethylsulfonyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55950780
[3-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 119594454
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 110803821
azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 112767085) is [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone is O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is CTMDOYHUTPJRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O4S/c20-19(21)28(26,27)16-6-4-14(5-7-16)17(24)23-12-8-15(9-13-23)18(25)22-10-2-1-3-11-22/h4-7,15,19H,1-3,8-13H2.
What are the key properties of [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 414.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 112767085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).