(1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone

C16H20F3NO3S — CID 45188055

IUPAC(1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCC(C)S(=O)(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H20F3NO3S/c1-11(2)24(22,23)20-8-4-6-13(10-20)15(21)12-5-3-7-14(9-12)16(17,18)19/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3
InChIKeyKNZVAIUPAMWMMM-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.34
Rot. Bonds4

About (1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone

(1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 45188055) has the molecular formula C16H20F3NO3S and a molecular weight of 363.40 g/mol. Its IUPAC name is (1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID45188055
Molecular FormulaC16H20F3NO3S
Molecular Weight363.40 g/mol
Exact Mass363.11
IUPAC Name(1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCC(C)S(=O)(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H20F3NO3S/c1-11(2)24(22,23)20-8-4-6-13(10-20)15(21)12-5-3-7-14(9-12)16(17,18)19/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3
InChIKeyKNZVAIUPAMWMMM-UHFFFAOYSA-N
XLogP3.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 29258112
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45206649
(3,4-dimethoxyphenyl)-(1-propan-2-ylsulfonylpiperidin-3-yl)methanone
CID 45219831
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 3463250
oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
CID 42565887
[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45249229
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 42392398
[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45195099
1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95729637
ethyl 4-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45177097
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 40790617

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 45188055) is (1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone is CC(C)S(=O)(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is KNZVAIUPAMWMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3S/c1-11(2)24(22,23)20-8-4-6-13(10-20)15(21)12-5-3-7-14(9-12)16(17,18)19/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3.
What are the key properties of (1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone?
(1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 363.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 45188055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).