[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

C24H27F2NO4S — CID 55707770

IUPAC[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1
InChIInChI=1S/C24H27F2NO4S/c1-16(2)15-17-3-5-18(6-4-17)22(28)19-11-13-27(14-12-19)23(29)20-7-9-21(10-8-20)32(30,31)24(25)26/h3-10,16,19,24H,11-15H2,1-2H3
InChIKeyAOJVUCCCKHSCNQ-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.62
Rot. Bonds7

About [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 55707770) has the molecular formula C24H27F2NO4S and a molecular weight of 463.55 g/mol. Its IUPAC name is [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
PubChem CID55707770
Molecular FormulaC24H27F2NO4S
Molecular Weight463.55 g/mol
Exact Mass463.16
IUPAC Name[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1
InChIInChI=1S/C24H27F2NO4S/c1-16(2)15-17-3-5-18(6-4-17)22(28)19-11-13-27(14-12-19)23(29)20-7-9-21(10-8-20)32(30,31)24(25)26/h3-10,16,19,24H,11-15H2,1-2H3
InChIKeyAOJVUCCCKHSCNQ-UHFFFAOYSA-N
XLogP4.62
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone with MolForge

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Related Compounds

[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939
[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 78768168
[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 86953089
3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 46467008
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 112767085
[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
[1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55841224
[4-(aminomethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone;hydrochloride
CID 119423356
N-butyl-1-[4-(difluoromethylsulfonyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55950780
N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
CID 55707534
[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 120623759

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (CID 55707770) is [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1.
What is the InChIKey of [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is AOJVUCCCKHSCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2NO4S/c1-16(2)15-17-3-5-18(6-4-17)22(28)19-11-13-27(14-12-19)23(29)20-7-9-21(10-8-20)32(30,31)24(25)26/h3-10,16,19,24H,11-15H2,1-2H3.
What are the key properties of [1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 463.55 g/mol, XLogP of 4.62, 7 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]-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 55707770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).