N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C71H113FN6O4 — CID 157367262

About N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 157367262) has the molecular formula C71H113FN6O4 and a molecular weight of 1133.72 g/mol. Its IUPAC name is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• PubChem CID: 157367262
• Molecular Formula: C71H113FN6O4
• Molecular Weight: 1133.72 g/mol
• Exact Mass: 1132.88
• IUPAC Name: N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• SMILES: CCN(C(C)=O)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(C)=O)[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.COCCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.[H][H]
• InChI: InChI=1S/C24H37FN2O2.C24H38N2O.C23H36N2O.H2/c1-23(2,3)10-13-27-14-11-24(12-15-27)9-7-21(26-22(28)8-16-29-4)19-6-5-18(25)17-20(19)24;1-6-26(19(2)27)22-11-12-24(21-10-8-7-9-20(21)22)14-17-25(18-15-24)16-13-23(3,4)5;1-5-25(19(4)26)22-10-12-23(21-9-7-6-8-20(21)22)13-16-24(17-14-23)15-11-18(2)3;/h5-6,17,21H,7-16H2,1-4H3,(H,26,28);7-10,22H,6,11-18H2,1-5H3;6-9,18,22H,5,10-17H2,1-4H3;1H/t21-;2*22-;/m100./s1
• InChIKey: BJIHWZPHCDZORF-AYFIQUQWSA-N
• XLogP: 14.76
• TPSA: 88.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1133.72
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 157367262) is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

What is the SMILES notation for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The canonical SMILES for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CCN(C(C)=O)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(C)=O)[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.COCCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.[H][H].

What is the InChIKey of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The InChIKey is BJIHWZPHCDZORF-AYFIQUQWSA-N. The full InChI is InChI=1S/C24H37FN2O2.C24H38N2O.C23H36N2O.H2/c1-23(2,3)10-13-27-14-11-24(12-15-27)9-7-21(26-22(28)8-16-29-4)19-6-5-18(25)17-20(19)24;1-6-26(19(2)27)22-11-12-24(21-10-8-7-9-20(21)22)14-17-25(18-15-24)16-13-23(3,4)5;1-5-25(19(4)26)22-10-12-23(21-9-7-6-8-20(21)22)13-16-24(17-14-23)15-11-18(2)3;/h5-6,17,21H,7-16H2,1-4H3,(H,26,28);7-10,22H,6,11-18H2,1-5H3;6-9,18,22H,5,10-17H2,1-4H3;1H/t21-;2*22-;/m100./s1.

What are the key properties of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 1133.72 g/mol, XLogP of 14.76, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethylacetamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 157367262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).