(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone

C164H174F24N22O14S4 — CID 157281553

IUPAC(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone
SMILESC=C(C)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)noc2C1.C=C(C)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nsc2C1.CC(=O)N1CCc2onc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2snc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.O=C(c1noc2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1noc2c1CNCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nsc2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nsc2c1CNCC2)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H24F3N3O2.C22H24F3N3OS.C21H22F3N3O3.C21H22F3N3O2S.C20H21F3N2O2.C20H21F3N2OS.C19H20F3N3O2.C19H20F3N3OS/c2*1-14(2)28-12-9-17-19(13-28)30-26-20(17)21(29)27-10-7-15(8-11-27)16-5-3-4-6-18(16)22(23,24)25;2*1-13(28)27-11-8-18-16(12-27)19(25-30-18)20(29)26-9-6-14(7-10-26)15-4-2-3-5-17(15)21(22,23)24;2*21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)27-24-18;2*20-19(21,22)15-4-2-1-3-13(15)12-6-9-25(10-7-12)18(26)17-14-11-23-8-5-16(14)27-24-17/h2*3-6,15H,1,7-13H2,2H3;2*2-5,14H,6-12H2,1H3;2*1,3,5,7,13H,2,4,6,8-12H2;2*1-4,12,23H,5-11H2
InChIKeyAZSMTKVJNAFVRN-UHFFFAOYSA-N
MW3261.56 g/mol
LogP34.22
Rot. Bonds18

About (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone

(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 157281553) has the molecular formula C164H174F24N22O14S4 and a molecular weight of 3261.56 g/mol. Its IUPAC name is (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone
PubChem CID157281553
Molecular FormulaC164H174F24N22O14S4
Molecular Weight3261.56 g/mol
Exact Mass3259.21
IUPAC Name(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone
SMILESC=C(C)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)noc2C1.C=C(C)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nsc2C1.CC(=O)N1CCc2onc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2snc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.O=C(c1noc2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1noc2c1CNCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nsc2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nsc2c1CNCC2)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H24F3N3O2.C22H24F3N3OS.C21H22F3N3O3.C21H22F3N3O2S.C20H21F3N2O2.C20H21F3N2OS.C19H20F3N3O2.C19H20F3N3OS/c2*1-14(2)28-12-9-17-19(13-28)30-26-20(17)21(29)27-10-7-15(8-11-27)16-5-3-4-6-18(16)22(23,24)25;2*1-13(28)27-11-8-18-16(12-27)19(25-30-18)20(29)26-9-6-14(7-10-26)15-4-2-3-5-17(15)21(22,23)24;2*21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)27-24-18;2*20-19(21,22)15-4-2-1-3-13(15)12-6-9-25(10-7-12)18(26)17-14-11-23-8-5-16(14)27-24-17/h2*3-6,15H,1,7-13H2,2H3;2*2-5,14H,6-12H2,1H3;2*1,3,5,7,13H,2,4,6,8-12H2;2*1-4,12,23H,5-11H2
InChIKeyAZSMTKVJNAFVRN-UHFFFAOYSA-N
XLogP34.22
TPSA389.32 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003261.56
LogP ≤ 534.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone
CID 163771081
4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157281554
1-[3-[hydroxy-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 166854844
1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone
CID 86268340
(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157111803
1-[1-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
CID 167609668
[6-(methoxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 86268953
3,3,3-trifluoro-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl]propan-1-one
CID 86267511
3-methyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl]butan-1-one
CID 137455812
(6-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 171613793
(1-ethyl-6-prop-1-en-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[1-methyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5-prop-1-en-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157495173
(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 86268144

Frequently Asked Questions

What is the IUPAC name of (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone (CID 157281553) is (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone is C=C(C)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)noc2C1.C=C(C)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nsc2C1.CC(=O)N1CCc2onc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2snc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.O=C(c1noc2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1noc2c1CNCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nsc2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nsc2c1CNCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is AZSMTKVJNAFVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2.C22H24F3N3OS.C21H22F3N3O3.C21H22F3N3O2S.C20H21F3N2O2.C20H21F3N2OS.C19H20F3N3O2.C19H20F3N3OS/c2*1-14(2)28-12-9-17-19(13-28)30-26-20(17)21(29)27-10-7-15(8-11-27)16-5-3-4-6-18(16)22(23,24)25;2*1-13(28)27-11-8-18-16(12-27)19(25-30-18)20(29)26-9-6-14(7-10-26)15-4-2-3-5-17(15)21(22,23)24;2*21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)27-24-18;2*20-19(21,22)15-4-2-1-3-13(15)12-6-9-25(10-7-12)18(26)17-14-11-23-8-5-16(14)27-24-17/h2*3-6,15H,1,7-13H2,2H3;2*2-5,14H,6-12H2,1H3;2*1,3,5,7,13H,2,4,6,8-12H2;2*1-4,12,23H,5-11H2.
What are the key properties of (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone?
(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 3261.56 g/mol, XLogP of 34.22, 18 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-prop-1-en-2-yl-5,7-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzothiazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 157281553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).