N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen

C76H120N8O5 — CID 161413205

About N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen (PubChem CID 161413205) has the molecular formula C76H120N8O5 and a molecular weight of 1225.85 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen
• PubChem CID: 161413205
• Molecular Formula: C76H120N8O5
• Molecular Weight: 1225.85 g/mol
• Exact Mass: 1224.94
• IUPAC Name: N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen
• SMILES: CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCCO3)c3ccccc32)CC1.CCN(C(=O)CCOC)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.Cn1cncc1C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].[H][H]
• InChI: InChI=1S/C26H42N2O2.C25H36N4O.C25H38N2O2.2H2/c1-6-28(24(29)12-20-30-5)23-11-13-26(22-10-8-7-9-21(22)23)15-18-27(19-16-26)17-14-25(2,3)4;1-24(2,3)11-14-29-15-12-25(13-16-29)10-9-21(19-7-5-6-8-20(19)25)27-23(30)22-17-26-18-28(22)4;1-24(2,3)12-15-27-16-13-25(14-17-27)11-10-21(19-7-4-5-8-20(19)25)26-23(28)22-9-6-18-29-22;;/h7-10,23H,6,11-20H2,1-5H3;5-8,17-18,21H,9-16H2,1-4H3,(H,27,30);4-5,7-8,21-22H,6,9-18H2,1-3H3,(H,26,28);2*1H/t23-;21-;21-,22?;;/m001../s1
• InChIKey: VVTAFGMACRBEEO-IJWDANTFSA-N
• XLogP: 14.71
• TPSA: 124.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1225.85
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen?

The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen (CID 161413205) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen is CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCCO3)c3ccccc32)CC1.CCN(C(=O)CCOC)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.Cn1cncc1C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].[H][H].

What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen?

The InChIKey is VVTAFGMACRBEEO-IJWDANTFSA-N. The full InChI is InChI=1S/C26H42N2O2.C25H36N4O.C25H38N2O2.2H2/c1-6-28(24(29)12-20-30-5)23-11-13-26(22-10-8-7-9-21(22)23)15-18-27(19-16-26)17-14-25(2,3)4;1-24(2,3)11-14-29-15-12-25(13-16-29)10-9-21(19-7-5-6-8-20(19)25)27-23(30)22-17-26-18-28(22)4;1-24(2,3)12-15-27-16-13-25(14-17-27)11-10-21(19-7-4-5-8-20(19)25)26-23(28)22-9-6-18-29-22;;/h7-10,23H,6,11-20H2,1-5H3;5-8,17-18,21H,9-16H2,1-4H3,(H,27,30);4-5,7-8,21-22H,6,9-18H2,1-3H3,(H,26,28);2*1H/t23-;21-;21-,22?;;/m001../s1.

What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen?

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen has a molecular weight of 1225.85 g/mol, XLogP of 14.71, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methylimidazole-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 161413205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).