[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone

C87H101F9N8O8S4 — CID 158690268

IUPAC[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone
SMILESCC1(C)CCCN(C(=O)c2cccc(CSc3cccc(OC(C)(F)F)c3)n2)C1.CC1CC(C)CN(C(=O)c2cccc(CSc3cccc(OC(C)(F)F)c3)n2)C1.CC1CCCC(C)N1C(=O)c1cccc(CSc2cccc(OC(C)(F)F)c2)n1.CCC1CCCCN1C(=O)c1cccc(CSc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/3C22H26F2N2O2S.C21H23F3N2O2S/c1-21(2)11-6-12-26(15-21)20(27)19-10-4-7-16(25-19)14-29-18-9-5-8-17(13-18)28-22(3,23)24;1-15-7-4-8-16(2)26(15)21(27)20-12-5-9-17(25-20)14-29-19-11-6-10-18(13-19)28-22(3,23)24;1-15-10-16(2)13-26(12-15)21(27)20-9-4-6-17(25-20)14-29-19-8-5-7-18(11-19)28-22(3,23)24;1-2-16-8-3-4-12-26(16)20(27)19-11-5-7-15(25-19)14-29-18-10-6-9-17(13-18)28-21(22,23)24/h4-5,7-10,13H,6,11-12,14-15H2,1-3H3;5-6,9-13,15-16H,4,7-8,14H2,1-3H3;4-9,11,15-16H,10,12-14H2,1-3H3;5-7,9-11,13,16H,2-4,8,12,14H2,1H3
InChIKeyIGGHYFVVOHNMEO-UHFFFAOYSA-N
MW1686.06 g/mol
LogP22.56
Rot. Bonds24

About [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone

[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone (PubChem CID 158690268) has the molecular formula C87H101F9N8O8S4 and a molecular weight of 1686.06 g/mol. Its IUPAC name is [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone
PubChem CID158690268
Molecular FormulaC87H101F9N8O8S4
Molecular Weight1686.06 g/mol
Exact Mass1684.65
IUPAC Name[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone
SMILESCC1(C)CCCN(C(=O)c2cccc(CSc3cccc(OC(C)(F)F)c3)n2)C1.CC1CC(C)CN(C(=O)c2cccc(CSc3cccc(OC(C)(F)F)c3)n2)C1.CC1CCCC(C)N1C(=O)c1cccc(CSc2cccc(OC(C)(F)F)c2)n1.CCC1CCCCN1C(=O)c1cccc(CSc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/3C22H26F2N2O2S.C21H23F3N2O2S/c1-21(2)11-6-12-26(15-21)20(27)19-10-4-7-16(25-19)14-29-18-9-5-8-17(13-18)28-22(3,23)24;1-15-7-4-8-16(2)26(15)21(27)20-12-5-9-17(25-20)14-29-19-11-6-10-18(13-19)28-22(3,23)24;1-15-10-16(2)13-26(12-15)21(27)20-9-4-6-17(25-20)14-29-19-8-5-7-18(11-19)28-22(3,23)24;1-2-16-8-3-4-12-26(16)20(27)19-11-5-7-15(25-19)14-29-18-10-6-9-17(13-18)28-21(22,23)24/h4-5,7-10,13H,6,11-12,14-15H2,1-3H3;5-6,9-13,15-16H,4,7-8,14H2,1-3H3;4-9,11,15-16H,10,12-14H2,1-3H3;5-7,9-11,13,16H,2-4,8,12,14H2,1H3
InChIKeyIGGHYFVVOHNMEO-UHFFFAOYSA-N
XLogP22.56
TPSA169.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.06
LogP ≤ 522.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone with MolForge

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Related Compounds

(3,3-Dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridin-2-yl]methanone
CID 58210507
[6-[[3-(1,1-Difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58210772
[6-[[3-(1,1-Difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 58210787
[6-[[3-(1,1-Difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58210888
[6-[[3-(1,1-Difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58210933
(3,5-Dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridin-2-yl]methanone
CID 58211201
(5-Ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridin-2-yl]methanone
CID 58211399
[6-[[3-(1,1-Difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 58211586
[6-[[3-(1,1-Difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 58211617
[6-[[3-(1,1-Difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone
CID 123303664
azepan-1-yl-[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 157358061
(3-Ethenyl-3-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone
CID 162560412

Frequently Asked Questions

What is the IUPAC name of [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone?
The IUPAC name of [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone (CID 158690268) is [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone.
What is the SMILES notation for [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone?
The canonical SMILES for [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone is CC1(C)CCCN(C(=O)c2cccc(CSc3cccc(OC(C)(F)F)c3)n2)C1.CC1CC(C)CN(C(=O)c2cccc(CSc3cccc(OC(C)(F)F)c3)n2)C1.CC1CCCC(C)N1C(=O)c1cccc(CSc2cccc(OC(C)(F)F)c2)n1.CCC1CCCCN1C(=O)c1cccc(CSc2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone?
The InChIKey is IGGHYFVVOHNMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H26F2N2O2S.C21H23F3N2O2S/c1-21(2)11-6-12-26(15-21)20(27)19-10-4-7-16(25-19)14-29-18-9-5-8-17(13-18)28-22(3,23)24;1-15-7-4-8-16(2)26(15)21(27)20-12-5-9-17(25-20)14-29-19-11-6-10-18(13-19)28-22(3,23)24;1-15-10-16(2)13-26(12-15)21(27)20-9-4-6-17(25-20)14-29-19-8-5-7-18(11-19)28-22(3,23)24;1-2-16-8-3-4-12-26(16)20(27)19-11-5-7-15(25-19)14-29-18-10-6-9-17(13-18)28-21(22,23)24/h4-5,7-10,13H,6,11-12,14-15H2,1-3H3;5-6,9-13,15-16H,4,7-8,14H2,1-3H3;4-9,11,15-16H,10,12-14H2,1-3H3;5-7,9-11,13,16H,2-4,8,12,14H2,1H3.
What are the key properties of [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone?
[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone has a molecular weight of 1686.06 g/mol, XLogP of 22.56, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]-2-pyridinyl]methanone is sourced from PubChem (CID 158690268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).