tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one

C65H90ClF5N12O8 — CID 159745162

About tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one

tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one (PubChem CID 159745162) has the molecular formula C65H90ClF5N12O8 and a molecular weight of 1297.95 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one.

Molecular Properties

• Compound Name: tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one
• PubChem CID: 159745162
• Molecular Formula: C65H90ClF5N12O8
• Molecular Weight: 1297.95 g/mol
• Exact Mass: 1296.66
• IUPAC Name: tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one
• SMILES: CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](F)C1.CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.F[C@H]1CNCC[C@H]1NC1CCOCC1.O=C1CCOCC1
• InChI: InChI=1S/C25H31F2N5O2.C15H13ClFN3O.C10H19FN2O2.C10H19FN2O.C5H8O2/c1-4-16-11-18-14(2)22(25-28-15(3)31-34-25)24(30-23(18)19(26)12-16)32-8-5-21(20(27)13-32)29-17-6-9-33-10-7-17;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13;11-9-7-12-4-1-10(9)13-8-2-5-14-6-3-8;6-5-1-3-7-4-2-5/h11-12,17,20-21,29H,4-10,13H2,1-3H3;5-6H,4H2,1-3H3;7-8H,4-6,12H2,1-3H3;8-10,12-13H,1-7H2;1-4H2/t20-,21+;;7-,8+;9-,10+;/m0.00./s1
• InChIKey: NCYKRJLILPLOLK-QBDFFGAZSA-N
• XLogP: 10.66
• TPSA: 243.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1297.95
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one?

The IUPAC name of tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one (CID 159745162) is tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one.

What is the SMILES notation for tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one?

The canonical SMILES for tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one is CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](F)C1.CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@@H](F)C3)c(-c3nc(C)no3)c(C)c2c1.F[C@H]1CNCC[C@H]1NC1CCOCC1.O=C1CCOCC1.

What is the InChIKey of tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one?

The InChIKey is NCYKRJLILPLOLK-QBDFFGAZSA-N. The full InChI is InChI=1S/C25H31F2N5O2.C15H13ClFN3O.C10H19FN2O2.C10H19FN2O.C5H8O2/c1-4-16-11-18-14(2)22(25-28-15(3)31-34-25)24(30-23(18)19(26)12-16)32-8-5-21(20(27)13-32)29-17-6-9-33-10-7-17;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13;11-9-7-12-4-1-10(9)13-8-2-5-14-6-3-8;6-5-1-3-7-4-2-5/h11-12,17,20-21,29H,4-10,13H2,1-3H3;5-6H,4H2,1-3H3;7-8H,4-6,12H2,1-3H3;8-10,12-13H,1-7H2;1-4H2/t20-,21+;;7-,8+;9-,10+;/m0.00./s1.

What are the key properties of tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one?

tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one has a molecular weight of 1297.95 g/mol, XLogP of 10.66, 9 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;(3S,4R)-3-fluoro-N-(oxan-4-yl)piperidin-4-amine;oxan-4-one is sourced from PubChem (CID 159745162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).