3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen

C71H113N7O4 — CID 160632177

About 3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen

3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen (PubChem CID 160632177) has the molecular formula C71H113N7O4 and a molecular weight of 1128.73 g/mol. Its IUPAC name is 3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen.

Molecular Properties

• Compound Name: 3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen
• PubChem CID: 160632177
• Molecular Formula: C71H113N7O4
• Molecular Weight: 1128.73 g/mol
• Exact Mass: 1127.89
• IUPAC Name: 3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen
• SMILES: CN(C(=O)C1CC1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CN(C)C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.COC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H]
• InChI: InChI=1S/C25H38N2O.C23H37N3O.C23H36N2O2.H2/c1-24(2,3)13-16-27-17-14-25(15-18-27)12-11-22(20-7-5-6-8-21(20)25)26(4)23(28)19-9-10-19;1-22(2,3)12-15-26-16-13-23(14-17-26)11-10-20(24-21(27)25(4)5)18-8-6-7-9-19(18)23;1-22(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;/h5-8,19,22H,9-18H2,1-4H3;6-9,20H,10-17H2,1-5H3,(H,24,27);6-9,20H,10-17H2,1-5H3;1H/t22-;2*20-;/m000./s1
• InChIKey: RIBBQGOMYLEMPX-JPKMBPEQSA-N
• XLogP: 14.96
• TPSA: 91.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1128.73
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen?

The IUPAC name of 3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen (CID 160632177) is 3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen.

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

The canonical SMILES for 3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen is CN(C(=O)C1CC1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CN(C)C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.COC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].

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

The InChIKey is RIBBQGOMYLEMPX-JPKMBPEQSA-N. The full InChI is InChI=1S/C25H38N2O.C23H37N3O.C23H36N2O2.H2/c1-24(2,3)13-16-27-17-14-25(15-18-27)12-11-22(20-7-5-6-8-21(20)25)26(4)23(28)19-9-10-19;1-22(2,3)12-15-26-16-13-23(14-17-26)11-10-20(24-21(27)25(4)5)18-8-6-7-9-19(18)23;1-22(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;/h5-8,19,22H,9-18H2,1-4H3;6-9,20H,10-17H2,1-5H3,(H,24,27);6-9,20H,10-17H2,1-5H3;1H/t22-;2*20-;/m000./s1.

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

3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen has a molecular weight of 1128.73 g/mol, XLogP of 14.96, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcyclopropanecarboxamide;methyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen is sourced from PubChem (CID 160632177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).