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

C71H112F2N6O4 — CID 158257289

About N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;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]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 158257289) has the molecular formula C71H112F2N6O4 and a molecular weight of 1151.71 g/mol. Its IUPAC name is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;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]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• PubChem CID: 158257289
• Molecular Formula: C71H112F2N6O4
• Molecular Weight: 1151.71 g/mol
• Exact Mass: 1150.87
• IUPAC Name: N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• SMILES: CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CC3)c3ccc(F)cc32)CC1.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].[H][H]
• InChI: InChI=1S/C24H37FN2O2.C24H35FN2O.C23H36N2O.2H2/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;1-23(2,3)10-13-27-14-11-24(12-15-27)9-8-21(26-22(28)17-4-5-17)19-7-6-18(25)16-20(19)24;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);6-7,16-17,21H,4-5,8-15H2,1-3H3,(H,26,28);6-9,18,22H,5,10-17H2,1-4H3;2*1H/t2*21-;22-;;/m010../s1
• InChIKey: GHLBKKKPLMTMTR-IXKSJPBVSA-N
• XLogP: 14.80
• TPSA: 97.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1151.71
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	2
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]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;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]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 158257289) is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;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]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;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]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CC3)c3ccc(F)cc32)CC1.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].[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]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;N-ethyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The InChIKey is GHLBKKKPLMTMTR-IXKSJPBVSA-N. The full InChI is InChI=1S/C24H37FN2O2.C24H35FN2O.C23H36N2O.2H2/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;1-23(2,3)10-13-27-14-11-24(12-15-27)9-8-21(26-22(28)17-4-5-17)19-7-6-18(25)16-20(19)24;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);6-7,16-17,21H,4-5,8-15H2,1-3H3,(H,26,28);6-9,18,22H,5,10-17H2,1-4H3;2*1H/t2*21-;22-;;/m010../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]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;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]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;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 1151.71 g/mol, XLogP of 14.80, 15 rotatable bonds, 2 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]cyclopropanecarboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide;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 158257289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).