(2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen

C74H121FN8O5 — CID 158016592

About (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen

(2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen (PubChem CID 158016592) has the molecular formula C74H121FN8O5 and a molecular weight of 1221.83 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen
• PubChem CID: 158016592
• Molecular Formula: C74H121FN8O5
• Molecular Weight: 1221.83 g/mol
• Exact Mass: 1220.94
• IUPAC Name: (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen
• SMILES: CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H38FN3O2.C25H39N3O2.C24H38N2O.3H2/c1-17(27-18(2)30)23(31)28-22-8-9-25(21-16-19(26)6-7-20(21)22)11-14-29(15-12-25)13-10-24(3,4)5;1-18(26-19(2)29)23(30)27-22-10-11-25(21-9-7-6-8-20(21)22)13-16-28(17-14-25)15-12-24(3,4)5;1-6-22(27)25(5)21-11-12-24(20-10-8-7-9-19(20)21)14-17-26(18-15-24)16-13-23(2,3)4;;;/h6-7,16-17,22H,8-15H2,1-5H3,(H,27,30)(H,28,31);6-9,18,22H,10-17H2,1-5H3,(H,26,29)(H,27,30);7-10,21H,6,11-18H2,1-5H3;3*1H/t17-,22-;18-,22-;21-;;;/m110.../s1
• InChIKey: FFNURIWKIIJXNZ-MJCRQBGKSA-N
• XLogP: 13.90
• TPSA: 146.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.83
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen?

The IUPAC name of (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen (CID 158016592) is (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen.

What is the SMILES notation for (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen?

The canonical SMILES for (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen is CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].[H][H].[H][H].

What is the InChIKey of (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen?

The InChIKey is FFNURIWKIIJXNZ-MJCRQBGKSA-N. The full InChI is InChI=1S/C25H38FN3O2.C25H39N3O2.C24H38N2O.3H2/c1-17(27-18(2)30)23(31)28-22-8-9-25(21-16-19(26)6-7-20(21)22)11-14-29(15-12-25)13-10-24(3,4)5;1-18(26-19(2)29)23(30)27-22-10-11-25(21-9-7-6-8-20(21)22)13-16-28(17-14-25)15-12-24(3,4)5;1-6-22(27)25(5)21-11-12-24(20-10-8-7-9-19(20)21)14-17-26(18-15-24)16-13-23(2,3)4;;;/h6-7,16-17,22H,8-15H2,1-5H3,(H,27,30)(H,28,31);6-9,18,22H,10-17H2,1-5H3,(H,26,29)(H,27,30);7-10,21H,6,11-18H2,1-5H3;3*1H/t17-,22-;18-,22-;21-;;;/m110.../s1.

What are the key properties of (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen?

(2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen has a molecular weight of 1221.83 g/mol, XLogP of 13.90, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;(2R)-2-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-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 158016592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).