[3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone

C162H185F27N26O22S10 — CID 157226128

IUPAC[3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone
SMILESC#CC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1.C=S(C)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CNC(=O)C1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CNC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1.COCC1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.Cc1c(-c2ccc(C(=O)N3CCCC(CN(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCC(CN4CCOCC4)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCC(N4CCCCC4)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCC(N4CCN(C)CC4)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C20H25F3N4O2S.C20H24F3N3O3S.C20H24F3N3O2S.C18H22F3N3O2S.C17H20F3N3O3S2.C17H18F3N3O3S.C17H19F3N2O3S.C17H15F3N2O2S.C16H18F3N3O2S/c1-13-17(24-29-18(13)20(21,22)23)15-5-6-16(30-15)19(28)27-7-3-4-14(12-27)26-10-8-25(2)9-11-26;1-13-17(24-29-18(13)20(21,22)23)15-4-5-16(30-15)19(27)26-6-2-3-14(12-26)11-25-7-9-28-10-8-25;1-13-17(24-28-18(13)20(21,22)23)15-7-8-16(29-15)19(27)26-11-5-6-14(12-26)25-9-3-2-4-10-25;1-11-15(22-26-16(11)18(19,20)21)13-6-7-14(27-13)17(25)24-8-4-5-12(10-24)9-23(2)3;1-10-14(21-26-15(10)17(18,19)20)12-6-7-13(27-12)16(24)23-8-4-5-11(9-23)22-28(2,3)25;1-9-13(22-26-14(9)17(18,19)20)11-5-6-12(27-11)16(25)23-7-3-4-10(8-23)15(24)21-2;1-10-14(21-25-15(10)17(18,19)20)12-5-6-13(26-12)16(23)22-7-3-4-11(8-22)9-24-2;1-3-11-6-8-22(9-7-11)16(23)13-5-4-12(25-13)14-10(2)15(24-21-14)17(18,19)20;1-9-13(21-24-14(9)16(17,18)19)11-3-4-12(25-11)15(23)22-7-5-10(20-2)6-8-22/h5-6,14H,3-4,7-12H2,1-2H3;4-5,14H,2-3,6-12H2,1H3;7-8,14H,2-6,9-12H2,1H3;6-7,12H,4-5,8-10H2,1-3H3;6-7,11H,2,4-5,8-9H2,1,3H3,(H,22,25);5-6,10H,3-4,7-8H2,1-2H3,(H,21,24);5-6,11H,3-4,7-9H2,1-2H3;1,4-5,11H,6-9H2,2H3;3-4,10,20H,5-8H2,1-2H3/t;;;;11-,28?;;;;/m....1..../s1
InChIKeyATOBOQOZMUNHPR-XWXRDWAOSA-N
MW3682.04 g/mol
LogP34.98
Rot. Bonds30

About [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone

[3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 157226128) has the molecular formula C162H185F27N26O22S10 and a molecular weight of 3682.04 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID157226128
Molecular FormulaC162H185F27N26O22S10
Molecular Weight3682.04 g/mol
Exact Mass3679.09
IUPAC Name[3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone
SMILESC#CC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1.C=S(C)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CNC(=O)C1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CNC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1.COCC1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.Cc1c(-c2ccc(C(=O)N3CCCC(CN(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCC(CN4CCOCC4)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCC(N4CCCCC4)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCC(N4CCN(C)CC4)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C20H25F3N4O2S.C20H24F3N3O3S.C20H24F3N3O2S.C18H22F3N3O2S.C17H20F3N3O3S2.C17H18F3N3O3S.C17H19F3N2O3S.C17H15F3N2O2S.C16H18F3N3O2S/c1-13-17(24-29-18(13)20(21,22)23)15-5-6-16(30-15)19(28)27-7-3-4-14(12-27)26-10-8-25(2)9-11-26;1-13-17(24-29-18(13)20(21,22)23)15-4-5-16(30-15)19(27)26-6-2-3-14(12-26)11-25-7-9-28-10-8-25;1-13-17(24-28-18(13)20(21,22)23)15-7-8-16(29-15)19(27)26-11-5-6-14(12-26)25-9-3-2-4-10-25;1-11-15(22-26-16(11)18(19,20)21)13-6-7-14(27-13)17(25)24-8-4-5-12(10-24)9-23(2)3;1-10-14(21-26-15(10)17(18,19)20)12-6-7-13(27-12)16(24)23-8-4-5-11(9-23)22-28(2,3)25;1-9-13(22-26-14(9)17(18,19)20)11-5-6-12(27-11)16(25)23-7-3-4-10(8-23)15(24)21-2;1-10-14(21-25-15(10)17(18,19)20)12-5-6-13(26-12)16(23)22-7-3-4-11(8-22)9-24-2;1-3-11-6-8-22(9-7-11)16(23)13-5-4-12(25-13)14-10(2)15(24-21-14)17(18,19)20;1-9-13(21-24-14(9)16(17,18)19)11-3-4-12(25-11)15(23)22-7-5-10(20-2)6-8-22/h5-6,14H,3-4,7-12H2,1-2H3;4-5,14H,2-3,6-12H2,1H3;7-8,14H,2-6,9-12H2,1H3;6-7,12H,4-5,8-10H2,1-3H3;6-7,11H,2,4-5,8-9H2,1,3H3,(H,22,25);5-6,10H,3-4,7-8H2,1-2H3,(H,21,24);5-6,11H,3-4,7-9H2,1-2H3;1,4-5,11H,6-9H2,2H3;3-4,10,20H,5-8H2,1-2H3/t;;;;11-,28?;;;;/m....1..../s1
InChIKeyATOBOQOZMUNHPR-XWXRDWAOSA-N
XLogP34.98
TPSA521.95 Ų
H-Bond Donors3
H-Bond Acceptors46
Rotatable Bonds30
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003682.04
LogP ≤ 534.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone (CID 157226128) is [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone is C#CC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1.C=S(C)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CNC(=O)C1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CNC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1.COCC1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.Cc1c(-c2ccc(C(=O)N3CCCC(CN(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCC(CN4CCOCC4)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCC(N4CCCCC4)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCC(N4CCN(C)CC4)C3)s2)noc1C(F)(F)F.
What is the InChIKey of [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is ATOBOQOZMUNHPR-XWXRDWAOSA-N. The full InChI is InChI=1S/C20H25F3N4O2S.C20H24F3N3O3S.C20H24F3N3O2S.C18H22F3N3O2S.C17H20F3N3O3S2.C17H18F3N3O3S.C17H19F3N2O3S.C17H15F3N2O2S.C16H18F3N3O2S/c1-13-17(24-29-18(13)20(21,22)23)15-5-6-16(30-15)19(28)27-7-3-4-14(12-27)26-10-8-25(2)9-11-26;1-13-17(24-29-18(13)20(21,22)23)15-4-5-16(30-15)19(27)26-6-2-3-14(12-26)11-25-7-9-28-10-8-25;1-13-17(24-28-18(13)20(21,22)23)15-7-8-16(29-15)19(27)26-11-5-6-14(12-26)25-9-3-2-4-10-25;1-11-15(22-26-16(11)18(19,20)21)13-6-7-14(27-13)17(25)24-8-4-5-12(10-24)9-23(2)3;1-10-14(21-26-15(10)17(18,19)20)12-6-7-13(27-12)16(24)23-8-4-5-11(9-23)22-28(2,3)25;1-9-13(22-26-14(9)17(18,19)20)11-5-6-12(27-11)16(25)23-7-3-4-10(8-23)15(24)21-2;1-10-14(21-25-15(10)17(18,19)20)12-5-6-13(26-12)16(23)22-7-3-4-11(8-22)9-24-2;1-3-11-6-8-22(9-7-11)16(23)13-5-4-12(25-13)14-10(2)15(24-21-14)17(18,19)20;1-9-13(21-24-14(9)16(17,18)19)11-3-4-12(25-11)15(23)22-7-5-10(20-2)6-8-22/h5-6,14H,3-4,7-12H2,1-2H3;4-5,14H,2-3,6-12H2,1H3;7-8,14H,2-6,9-12H2,1H3;6-7,12H,4-5,8-10H2,1-3H3;6-7,11H,2,4-5,8-9H2,1,3H3,(H,22,25);5-6,10H,3-4,7-8H2,1-2H3,(H,21,24);5-6,11H,3-4,7-9H2,1-2H3;1,4-5,11H,6-9H2,2H3;3-4,10,20H,5-8H2,1-2H3/t;;;;11-,28?;;;;/m....1..../s1.
What are the key properties of [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone?
[3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 3682.04 g/mol, XLogP of 34.98, 30 rotatable bonds, 3 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;(4-ethynylpiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[3-(methoxymethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[4-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-(3-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 157226128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).