[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C16H20F3N3O4S — CID 97343487

IUPAC[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H20F3N3O4S/c17-16(18,19)14-4-3-12(10-20-14)15(23)21-5-1-2-13(11-21)27(24,25)22-6-8-26-9-7-22/h3-4,10,13H,1-2,5-9,11H2/t13-/m0/s1
InChIKeyKSQPRPJNVRGBRA-ZDUSSCGKSA-N
MW407.41 g/mol
LogP1.37
Rot. Bonds3

About [(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 97343487) has the molecular formula C16H20F3N3O4S and a molecular weight of 407.41 g/mol. Its IUPAC name is [(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID97343487
Molecular FormulaC16H20F3N3O4S
Molecular Weight407.41 g/mol
Exact Mass407.11
IUPAC Name[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H20F3N3O4S/c17-16(18,19)14-4-3-12(10-20-14)15(23)21-5-1-2-13(11-21)27(24,25)22-6-8-26-9-7-22/h3-4,10,13H,1-2,5-9,11H2/t13-/m0/s1
InChIKeyKSQPRPJNVRGBRA-ZDUSSCGKSA-N
XLogP1.37
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348547
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473924
4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473926
[3-(4-fluorophenyl)azepan-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 121146311
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
CID 97343511
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 51931215
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 97343487) is [(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of [(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is KSQPRPJNVRGBRA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20F3N3O4S/c17-16(18,19)14-4-3-12(10-20-14)15(23)21-5-1-2-13(11-21)27(24,25)22-6-8-26-9-7-22/h3-4,10,13H,1-2,5-9,11H2/t13-/m0/s1.
What are the key properties of [(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 407.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 97343487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).