[(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate

C26H34F3N5O5 — CID 150468376

About [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate

[(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate (PubChem CID 150468376) has the molecular formula C26H34F3N5O5 and a molecular weight of 553.58 g/mol. Its IUPAC name is [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate.

Molecular Properties

• Compound Name: [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate
• PubChem CID: 150468376
• Molecular Formula: C26H34F3N5O5
• Molecular Weight: 553.58 g/mol
• Exact Mass: 553.25
• IUPAC Name: [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate
• SMILES: CC(C)(C)C[C@H](OC(N)=O)c1nc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)no1
• InChI: InChI=1S/C26H34F3N5O5/c1-25(2,3)13-20(38-23(30)35)22-31-21(32-39-22)18-12-17(16-4-6-19(7-5-16)26(27,28)29)14-34(15-18)24(36)33-8-10-37-11-9-33/h4-7,17-18,20H,8-15H2,1-3H3,(H2,30,35)/t17?,18?,20-/m0/s1
• InChIKey: HRGQQCFZTLZHQE-QLOJAFMTSA-N
• XLogP: 4.69
• TPSA: 124.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.58
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate?

The IUPAC name of [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate (CID 150468376) is [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate.

What is the SMILES notation for [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate?

The canonical SMILES for [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate is CC(C)(C)C[C@H](OC(N)=O)c1nc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)no1.

What is the InChIKey of [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate?

The InChIKey is HRGQQCFZTLZHQE-QLOJAFMTSA-N. The full InChI is InChI=1S/C26H34F3N5O5/c1-25(2,3)13-20(38-23(30)35)22-31-21(32-39-22)18-12-17(16-4-6-19(7-5-16)26(27,28)29)14-34(15-18)24(36)33-8-10-37-11-9-33/h4-7,17-18,20H,8-15H2,1-3H3,(H2,30,35)/t17?,18?,20-/m0/s1.

What are the key properties of [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate?

[(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate has a molecular weight of 553.58 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-3,3-dimethyl-1-[3-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-5-yl]butyl] carbamate is sourced from PubChem (CID 150468376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).