3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen

C81H129N7O6 — CID 158353295

About 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen

3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen (PubChem CID 158353295) has the molecular formula C81H129N7O6 and a molecular weight of 1296.97 g/mol. Its IUPAC name is 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen
• PubChem CID: 158353295
• Molecular Formula: C81H129N7O6
• Molecular Weight: 1296.97 g/mol
• Exact Mass: 1296.00
• IUPAC Name: 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen
• SMILES: CC(=O)NCCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(=O)C1CCOC1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(=O)CC1CCCC1=O)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].[H][H]
• InChI: InChI=1S/C29H44N2O2.C27H42N2O2.C25H39N3O2.2H2/c1-5-31(27(33)21-22-9-8-12-26(22)32)25-13-14-29(24-11-7-6-10-23(24)25)16-19-30(20-17-29)18-15-28(2,3)4;1-5-29(25(30)21-11-19-31-20-21)24-10-12-27(23-9-7-6-8-22(23)24)14-17-28(18-15-27)16-13-26(2,3)4;1-19(29)26-15-10-23(30)27-22-9-11-25(21-8-6-5-7-20(21)22)13-17-28(18-14-25)16-12-24(2,3)4;;/h6-7,10-11,22,25H,5,8-9,12-21H2,1-4H3;6-9,21,24H,5,10-20H2,1-4H3;5-8,22H,9-18H2,1-4H3,(H,26,29)(H,27,30);2*1H/t22?,25-;21?,24-;22-;;/m001../s1
• InChIKey: GSORGHDIIGEKEJ-BLTXLAIPSA-N
• XLogP: 15.50
• TPSA: 134.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1296.97
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen (CID 158353295) is 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen.

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

The canonical SMILES for 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen is CC(=O)NCCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(=O)C1CCOC1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(=O)CC1CCCC1=O)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].[H][H].

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

The InChIKey is GSORGHDIIGEKEJ-BLTXLAIPSA-N. The full InChI is InChI=1S/C29H44N2O2.C27H42N2O2.C25H39N3O2.2H2/c1-5-31(27(33)21-22-9-8-12-26(22)32)25-13-14-29(24-11-7-6-10-23(24)25)16-19-30(20-17-29)18-15-28(2,3)4;1-5-29(25(30)21-11-19-31-20-21)24-10-12-27(23-9-7-6-8-22(23)24)14-17-28(18-15-27)16-13-26(2,3)4;1-19(29)26-15-10-23(30)27-22-9-11-25(21-8-6-5-7-20(21)22)13-17-28(18-14-25)16-12-24(2,3)4;;/h6-7,10-11,22,25H,5,8-9,12-21H2,1-4H3;6-9,21,24H,5,10-20H2,1-4H3;5-8,22H,9-18H2,1-4H3,(H,26,29)(H,27,30);2*1H/t22?,25-;21?,24-;22-;;/m001../s1.

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

3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen has a molecular weight of 1296.97 g/mol, XLogP of 15.50, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyloxolane-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158353295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).