[(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid

C21H30F3N3O5 — CID 155827063

About [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid

[(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155827063) has the molecular formula C21H30F3N3O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155827063
• Molecular Formula: C21H30F3N3O5
• Molecular Weight: 461.48 g/mol
• Exact Mass: 461.21
• IUPAC Name: [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(CN2CC[C@H]3C[C@H](C(=O)N4CCC(C)CC4)O[C@@H]3C2)no1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H29N3O3.C2HF3O2/c1-13-3-7-22(8-4-13)19(23)17-10-15-5-6-21(12-18(15)24-17)11-16-9-14(2)25-20-16;3-2(4,5)1(6)7/h9,13,15,17-18H,3-8,10-12H2,1-2H3;(H,6,7)/t15-,17+,18+;/m0./s1
• InChIKey: ONFZQIQBEXJJRG-FLCXFYETSA-N
• XLogP: 2.85
• TPSA: 96.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.48
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid (CID 155827063) is [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid is Cc1cc(CN2CC[C@H]3C[C@H](C(=O)N4CCC(C)CC4)O[C@@H]3C2)no1.O=C(O)C(F)(F)F.

What is the InChIKey of [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?

The InChIKey is ONFZQIQBEXJJRG-FLCXFYETSA-N. The full InChI is InChI=1S/C19H29N3O3.C2HF3O2/c1-13-3-7-22(8-4-13)19(23)17-10-15-5-6-21(12-18(15)24-17)11-16-9-14(2)25-20-16;3-2(4,5)1(6)7/h9,13,15,17-18H,3-8,10-12H2,1-2H3;(H,6,7)/t15-,17+,18+;/m0./s1.

What are the key properties of [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?

[(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 461.48 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155827063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).