1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

C70H108F3N7O4 — CID 158628332

About 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 158628332) has the molecular formula C70H108F3N7O4 and a molecular weight of 1168.67 g/mol. Its IUPAC name is 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
• PubChem CID: 158628332
• Molecular Formula: C70H108F3N7O4
• Molecular Weight: 1168.67 g/mol
• Exact Mass: 1167.84
• IUPAC Name: 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
• SMILES: CC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N1CCCCC1C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCCC(F)(F)F)CC2)c2ccccc21.[H][H].[H][H]
• InChI: InChI=1S/C28H43N3O2.C22H34N2O.C20H27F3N2O.2H2/c1-21(32)31-17-8-7-11-25(31)26(33)29-24-12-13-28(23-10-6-5-9-22(23)24)15-19-30(20-16-28)18-14-27(2,3)4;1-17(2)10-14-24-15-12-22(13-16-24)11-9-21(23(4)18(3)25)19-7-5-6-8-20(19)22;1-15(26)24-18-7-9-19(17-6-3-2-5-16(17)18)10-13-25(14-11-19)12-4-8-20(21,22)23;;/h5-6,9-10,24-25H,7-8,11-20H2,1-4H3,(H,29,33);5-8,17,21H,9-16H2,1-4H3;2-3,5-6,18H,4,7-14H2,1H3,(H,24,26);2*1H/t24-,25?;21-;18-;;/m100../s1
• InChIKey: HYWLDAXZVLSKOZ-FIWQAMCDSA-N
• XLogP: 14.01
• TPSA: 108.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1168.67
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The IUPAC name of 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 158628332) is 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

What is the SMILES notation for 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The canonical SMILES for 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is CC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N1CCCCC1C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCCC(F)(F)F)CC2)c2ccccc21.[H][H].[H][H].

What is the InChIKey of 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The InChIKey is HYWLDAXZVLSKOZ-FIWQAMCDSA-N. The full InChI is InChI=1S/C28H43N3O2.C22H34N2O.C20H27F3N2O.2H2/c1-21(32)31-17-8-7-11-25(31)26(33)29-24-12-13-28(23-10-6-5-9-22(23)24)15-19-30(20-16-28)18-14-27(2,3)4;1-17(2)10-14-24-15-12-22(13-16-24)11-9-21(23(4)18(3)25)19-7-5-6-8-20(19)22;1-15(26)24-18-7-9-19(17-6-3-2-5-16(17)18)10-13-25(14-11-19)12-4-8-20(21,22)23;;/h5-6,9-10,24-25H,7-8,11-20H2,1-4H3,(H,29,33);5-8,17,21H,9-16H2,1-4H3;2-3,5-6,18H,4,7-14H2,1H3,(H,24,26);2*1H/t24-,25?;21-;18-;;/m100../s1.

What are the key properties of 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 1168.67 g/mol, XLogP of 14.01, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;N-methyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 158628332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).