(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone

C66H72F12N10O10S5 — CID 161044486

About (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone

(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone (PubChem CID 161044486) has the molecular formula C66H72F12N10O10S5 and a molecular weight of 1553.67 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone
• PubChem CID: 161044486
• Molecular Formula: C66H72F12N10O10S5
• Molecular Weight: 1553.67 g/mol
• Exact Mass: 1552.38
• IUPAC Name: (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone
• SMILES: C=C(C)N[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.C=S(C)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.COC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1.Cc1c(-c2ccc(C(=O)N3CCCCC3)s2)noc1C(F)(F)F
• InChI: InChI=1S/C18H20F3N3O2S.C17H20F3N3O3S2.C16H17F3N2O3S.C15H15F3N2O2S/c1-10(2)22-12-5-4-8-24(9-12)17(25)14-7-6-13(27-14)15-11(3)16(26-23-15)18(19,20)21;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(20-24-14(9)16(17,18)19)11-3-4-12(25-11)15(22)21-7-5-10(23-2)6-8-21;1-9-12(19-22-13(9)15(16,17)18)10-5-6-11(23-10)14(21)20-7-3-2-4-8-20/h6-7,12,22H,1,4-5,8-9H2,2-3H3;6-7,11H,2,4-5,8-9H2,1,3H3,(H,22,25);3-4,10H,5-8H2,1-2H3;5-6H,2-4,7-8H2,1H3/t12-;11-,28?;;/m00../s1
• InChIKey: UBHWTCYTSWABSP-KKXHBCHFSA-N
• XLogP: 15.98
• TPSA: 235.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1553.67
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone?

The IUPAC name of (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone (CID 161044486) is (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone.

What is the SMILES notation for (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone?

The canonical SMILES for (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone is C=C(C)N[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.C=S(C)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.COC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1.Cc1c(-c2ccc(C(=O)N3CCCCC3)s2)noc1C(F)(F)F.

What is the InChIKey of (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone?

The InChIKey is UBHWTCYTSWABSP-KKXHBCHFSA-N. The full InChI is InChI=1S/C18H20F3N3O2S.C17H20F3N3O3S2.C16H17F3N2O3S.C15H15F3N2O2S/c1-10(2)22-12-5-4-8-24(9-12)17(25)14-7-6-13(27-14)15-11(3)16(26-23-15)18(19,20)21;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(20-24-14(9)16(17,18)19)11-3-4-12(25-11)15(22)21-7-5-10(23-2)6-8-21;1-9-12(19-22-13(9)15(16,17)18)10-5-6-11(23-10)14(21)20-7-3-2-4-8-20/h6-7,12,22H,1,4-5,8-9H2,2-3H3;6-7,11H,2,4-5,8-9H2,1,3H3,(H,22,25);3-4,10H,5-8H2,1-2H3;5-6H,2-4,7-8H2,1H3/t12-;11-,28?;;/m00../s1.

What are the key properties of (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone?

(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 1553.67 g/mol, XLogP of 15.98, 13 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]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]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 161044486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).