1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride

C16H25ClF3N5O3 — CID 175782206

About 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride

1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride (PubChem CID 175782206) has the molecular formula C16H25ClF3N5O3 and a molecular weight of 427.86 g/mol. Its IUPAC name is 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride.

Molecular Properties

• Compound Name: 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride
• PubChem CID: 175782206
• Molecular Formula: C16H25ClF3N5O3
• Molecular Weight: 427.86 g/mol
• Exact Mass: 427.16
• IUPAC Name: 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride
• SMILES: Cl.NC(=O)C1CCN(C2C[C@H]3CC[C@@H](C2)N3c2nc(C(F)(F)F)no2)CC1.O
• InChI: InChI=1S/C16H22F3N5O2.ClH.H2O/c17-16(18,19)14-21-15(26-22-14)24-10-1-2-11(24)8-12(7-10)23-5-3-9(4-6-23)13(20)25;;/h9-12H,1-8H2,(H2,20,25);1H;1H2/t10-,11+,12?
• InChIKey: WHVTWZDNHHFMFX-REAUUIMGSA-N
• XLogP: 1.38
• TPSA: 119.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.86
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride?

The IUPAC name of 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride (CID 175782206) is 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride.

What is the SMILES notation for 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride?

The canonical SMILES for 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride is Cl.NC(=O)C1CCN(C2C[C@H]3CC[C@@H](C2)N3c2nc(C(F)(F)F)no2)CC1.O.

What is the InChIKey of 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride?

The InChIKey is WHVTWZDNHHFMFX-REAUUIMGSA-N. The full InChI is InChI=1S/C16H22F3N5O2.ClH.H2O/c17-16(18,19)14-21-15(26-22-14)24-10-1-2-11(24)8-12(7-10)23-5-3-9(4-6-23)13(20)25;;/h9-12H,1-8H2,(H2,20,25);1H;1H2/t10-,11+,12?;;.

What are the key properties of 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride?

1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride has a molecular weight of 427.86 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride is sourced from PubChem (CID 175782206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).