1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

C64H97N5O4 — CID 158246312

About 1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 158246312) has the molecular formula C64H97N5O4 and a molecular weight of 1000.51 g/mol. Its IUPAC name is 1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

• Compound Name: 1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
• PubChem CID: 158246312
• Molecular Formula: C64H97N5O4
• Molecular Weight: 1000.51 g/mol
• Exact Mass: 999.75
• IUPAC Name: 1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
• SMILES: C=CCCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CC(C)(C)CCN1CCC2(CCC(=O)c3ccccc32)CC1.COC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H]
• InChI: InChI=1S/C23H36N2O2.C21H30N2O.C20H29NO.H2/c1-22(2,3)12-15-25-16-13-23(14-17-25)11-10-20(24(4)21(26)27-5)18-8-6-7-9-19(18)23;1-3-4-7-14-23-15-12-21(13-16-23)11-10-20(22-17(2)24)18-8-5-6-9-19(18)21;1-19(2,3)10-13-21-14-11-20(12-15-21)9-8-18(22)16-6-4-5-7-17(16)20;/h6-9,20H,10-17H2,1-5H3;3,5-6,8-9,20H,1,4,7,10-16H2,2H3,(H,22,24);4-7H,8-15H2,1-3H3;1H/t2*20-;;/m00../s1
• InChIKey: GGDRRJZDSMOZEY-ZNLKIPMLSA-N
• XLogP: 13.63
• TPSA: 85.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.51
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The IUPAC name of 1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 158246312) is 1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

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

The canonical SMILES for 1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is C=CCCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CC(C)(C)CCN1CCC2(CCC(=O)c3ccccc32)CC1.COC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].

What is the InChIKey of 1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The InChIKey is GGDRRJZDSMOZEY-ZNLKIPMLSA-N. The full InChI is InChI=1S/C23H36N2O2.C21H30N2O.C20H29NO.H2/c1-22(2,3)12-15-25-16-13-23(14-17-25)11-10-20(24(4)21(26)27-5)18-8-6-7-9-19(18)23;1-3-4-7-14-23-15-12-21(13-16-23)11-10-20(22-17(2)24)18-8-5-6-9-19(18)21;1-19(2,3)10-13-21-14-11-20(12-15-21)9-8-18(22)16-6-4-5-7-17(16)20;/h6-9,20H,10-17H2,1-5H3;3,5-6,8-9,20H,1,4,7,10-16H2,2H3,(H,22,24);4-7H,8-15H2,1-3H3;1H/t2*20-;;/m00../s1.

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

1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 1000.51 g/mol, XLogP of 13.63, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 158246312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).