1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen

C76H113N7O5 — CID 159731461

About 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen

1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen (PubChem CID 159731461) has the molecular formula C76H113N7O5 and a molecular weight of 1204.78 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-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen.

Molecular Properties

• Compound Name: 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen
• PubChem CID: 159731461
• Molecular Formula: C76H113N7O5
• Molecular Weight: 1204.78 g/mol
• Exact Mass: 1203.88
• IUPAC Name: 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen
• SMILES: CC#CCN(C(C)=O)[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N1CCCC(C(=O)N[C@@H]2CCC3(CCN(CCC(C)(C)C)CC3)c3ccccc32)C1.CC(C)CCN1CCC2(CC[C@H](N3C(=O)CCC3=O)c3ccccc32)CC1.[H][H]
• InChI: InChI=1S/C28H43N3O2.C25H36N2O.C23H32N2O2.H2/c1-21(32)31-16-7-8-22(20-31)26(33)29-25-11-12-28(24-10-6-5-9-23(24)25)14-18-30(19-15-28)17-13-27(2,3)4;1-5-6-16-27(21(4)28)24-11-13-25(23-10-8-7-9-22(23)24)14-18-26(19-15-25)17-12-20(2)3;1-17(2)10-14-24-15-12-23(13-16-24)11-9-20(18-5-3-4-6-19(18)23)25-21(26)7-8-22(25)27;/h5-6,9-10,22,25H,7-8,11-20H2,1-4H3,(H,29,33);7-10,20,24H,11-19H2,1-4H3;3-6,17,20H,7-16H2,1-2H3;1H/t22?,25-;24-;20-;/m100./s1
• InChIKey: NBHBFRAFTWBIPE-GWGGZYSXSA-N
• XLogP: 13.74
• TPSA: 116.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.78
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen?

The IUPAC name of 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen (CID 159731461) is 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen.

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-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen?

The canonical SMILES for 1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen is CC#CCN(C(C)=O)[C@H]1CCC2(CCN(CCC(C)C)CC2)c2ccccc21.CC(=O)N1CCCC(C(=O)N[C@@H]2CCC3(CCN(CCC(C)(C)C)CC3)c3ccccc32)C1.CC(C)CCN1CCC2(CC[C@H](N3C(=O)CCC3=O)c3ccccc32)CC1.[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-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen?

The InChIKey is NBHBFRAFTWBIPE-GWGGZYSXSA-N. The full InChI is InChI=1S/C28H43N3O2.C25H36N2O.C23H32N2O2.H2/c1-21(32)31-16-7-8-22(20-31)26(33)29-25-11-12-28(24-10-6-5-9-23(24)25)14-18-30(19-15-28)17-13-27(2,3)4;1-5-6-16-27(21(4)28)24-11-13-25(23-10-8-7-9-22(23)24)14-18-26(19-15-25)17-12-20(2)3;1-17(2)10-14-24-15-12-23(13-16-24)11-9-20(18-5-3-4-6-19(18)23)25-21(26)7-8-22(25)27;/h5-6,9-10,22,25H,7-8,11-20H2,1-4H3,(H,29,33);7-10,20,24H,11-19H2,1-4H3;3-6,17,20H,7-16H2,1-2H3;1H/t22?,25-;24-;20-;/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-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen?

1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen has a molecular weight of 1204.78 g/mol, XLogP of 13.74, 13 rotatable bonds, 1 hydrogen bond donors, and 8 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-3-carboxamide;N-but-2-ynyl-N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2,5-dione;molecular hydrogen is sourced from PubChem (CID 159731461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).