(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide

C17H22F3N3O3S — CID 97348547

IUPAC(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C17H22F3N3O3S/c18-17(19,20)15-8-7-12(10-21-15)16(24)23-9-3-6-14(11-23)27(25,26)22-13-4-1-2-5-13/h7-8,10,13-14,22H,1-6,9,11H2/t14-/m1/s1
InChIKeyBKWAZCCZXPUGNC-CQSZACIVSA-N
MW405.44 g/mol
LogP2.57
Rot. Bonds4

About (3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide

(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide (PubChem CID 97348547) has the molecular formula C17H22F3N3O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide
PubChem CID97348547
Molecular FormulaC17H22F3N3O3S
Molecular Weight405.44 g/mol
Exact Mass405.13
IUPAC Name(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C17H22F3N3O3S/c18-17(19,20)15-8-7-12(10-21-15)16(24)23-9-3-6-14(11-23)27(25,26)22-13-4-1-2-5-13/h7-8,10,13-14,22H,1-6,9,11H2/t14-/m1/s1
InChIKeyBKWAZCCZXPUGNC-CQSZACIVSA-N
XLogP2.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 97343487
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
[3-(4-fluorophenyl)azepan-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 121146311
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide
CID 97348370
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348457

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide?
The IUPAC name of (3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide (CID 97348547) is (3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide?
The canonical SMILES for (3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide is O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1.
What is the InChIKey of (3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide?
The InChIKey is BKWAZCCZXPUGNC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22F3N3O3S/c18-17(19,20)15-8-7-12(10-21-15)16(24)23-9-3-6-14(11-23)27(25,26)22-13-4-1-2-5-13/h7-8,10,13-14,22H,1-6,9,11H2/t14-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide?
(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide has a molecular weight of 405.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide is sourced from PubChem (CID 97348547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).