N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

C63H97F3N6O3 — CID 159368286

About N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 159368286) has the molecular formula C63H97F3N6O3 and a molecular weight of 1043.50 g/mol. Its IUPAC name is N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
• PubChem CID: 159368286
• Molecular Formula: C63H97F3N6O3
• Molecular Weight: 1043.50 g/mol
• Exact Mass: 1042.76
• IUPAC Name: N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
• SMILES: C=CCCCN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.CC(=O)N[C@H]1CCC2(CCN(C(C)CC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCCC(F)(F)F)CC2)c2ccccc21.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H36N2O.C20H27F3N2O.C20H28N2O.3H2/c1-17(16-22(3,4)5)25-14-12-23(13-15-25)11-10-21(24-18(2)26)19-8-6-7-9-20(19)23;1-15(26)24-18-7-9-19(17-6-3-2-5-16(17)18)10-13-25(14-11-19)12-4-8-20(21,22)23;1-3-4-7-12-22-13-10-20(11-14-22)15-19(21-16(2)23)17-8-5-6-9-18(17)20;;;/h6-9,17,21H,10-16H2,1-5H3,(H,24,26);2-3,5-6,18H,4,7-14H2,1H3,(H,24,26);3,5-6,8-9,19H,1,4,7,10-15H2,2H3,(H,21,23);3*1H/t17?,21-;18-;19-;;;/m000.../s1
• InChIKey: LJKHEXMNFBWWHQ-RWCLXTJBSA-N
• XLogP: 13.45
• TPSA: 97.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.50
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The IUPAC name of N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 159368286) is N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

What is the SMILES notation for N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The canonical SMILES for N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is C=CCCCN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.CC(=O)N[C@H]1CCC2(CCN(C(C)CC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCCC(F)(F)F)CC2)c2ccccc21.[H][H].[H][H].[H][H].

What is the InChIKey of N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The InChIKey is LJKHEXMNFBWWHQ-RWCLXTJBSA-N. The full InChI is InChI=1S/C23H36N2O.C20H27F3N2O.C20H28N2O.3H2/c1-17(16-22(3,4)5)25-14-12-23(13-15-25)11-10-21(24-18(2)26)19-8-6-7-9-20(19)23;1-15(26)24-18-7-9-19(17-6-3-2-5-16(17)18)10-13-25(14-11-19)12-4-8-20(21,22)23;1-3-4-7-12-22-13-10-20(11-14-22)15-19(21-16(2)23)17-8-5-6-9-18(17)20;;;/h6-9,17,21H,10-16H2,1-5H3,(H,24,26);2-3,5-6,18H,4,7-14H2,1H3,(H,24,26);3,5-6,8-9,19H,1,4,7,10-15H2,2H3,(H,21,23);3*1H/t17?,21-;18-;19-;;;/m000.../s1.

What are the key properties of N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 1043.50 g/mol, XLogP of 13.45, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 159368286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).